SCHEMBL3501240

SCHEMBL3501240

CCCCCc1cnc(-c2ccncc2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.49
ALDH1A1 P00352 5/20 0.49
RAB9A P51151 5/20 0.49
KDM4E B2RXH2 4/20 0.49
HSD17B10 Q99714 4/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
HDAC1 Q13547 7/20 0.46
HDAC2 Q92769 7/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
HPGD P15428 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 2/20 0.45
GAA P10253 1/20 0.45
STAT1 P42224 1/20 0.45
HDAC3 O15379 5/20 0.45
HDAC4 P56524 5/20 0.45
HDAC7 Q8WUI4 5/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7163294 0.88 KDM4E (0.49) NPC1ALDH1A1RAB9AKDM4EHSD17B10
SCHEMBL14382237 0.73 HDAC1 (0.53) NPC1ALDH1A1RAB9AKDM4EHSD17B10
SCHEMBL4560384 0.73 TLR7 (0.44) ALDH1A1RAB9AKDM4EHSD17B10MAPT
SCHEMBL3502727 0.72 FAAH (0.49) NPC1ALDH1A1RAB9AKDM4EHSD17B10
SCHEMBL17242460 0.72 NPC1 (0.56) NPC1ALDH1A1RAB9AKDM4EHSD17B10
SCHEMBL9095107 0.71 ESR1 (0.47) NPC1ALDH1A1RAB9AKDM4EMAPT
SCHEMBL5538019 0.71 TDP1 (0.35) ALDH1A1RAB9AKDM4EHSD17B10MAPT
SCHEMBL2062290 0.71 PPARA (0.36) ALDH1A1RAB9AKDM4EHSD17B10MAPT
SCHEMBL5542163 0.70 HDAC1 (0.59) NPC1ALDH1A1RAB9AKDM4EHSD17B10
SCHEMBL3733911 0.69 SIRT2 (0.37) MAPTTDP1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040146460-A1 Design of labels for detection with a surface-seletive nonlinear optical technique BIODESY LLC 2004-07-29 US claimed
EP-1364204-A1 DESIGNS OF LABELS FOR DETECTION WITH A SURFACE-SELECTIVE NONLINEAR OPTICAL TECHNIQUE Salafsky, Joshua S. (US) 2003-11-26 EP claimed
EP-1358482-A1 METHOD AND APPARATUS USING A SURFACE-SELECTIVE NONLINEAR OPTICAL TECHNIQUE Salafsky, Joshua S. (US) 2003-11-05 EP claimed
US-20020127563-A1 Method and apparatus using a surface-selective nonlinear optical technique for detection of probe-target interactions without labels BIODESY LLC 2002-09-12 US claimed
WO-2002061415-A1 DESIGNS OF LABELS FOR DETECTION WITH A SURFACE-SELECTIVE NONLINEAR OPTICAL TECHNIQUE SALAFSKY JOSHUA S (US) 2002-08-08 WO claimed
WO-2002054071-A1 METHOD AND APPARATUS USING A SURFACE-SELECTIVE NONLINEAR OPTICAL TECHNIQUE SALAFSKY JOSHUA S (US) 2002-07-11 WO claimed
EP-3936622-A1 METHODS FOR HIGH THROUGHPUT ANALYSIS OF CONFORMATION IN BIOLOGICAL ENTITIES BLUELIGHT THERAPEUTICS, INC. (US) 2022-01-12 EP disclosed
EP-3161168-B1 SYSTEMS AND METHODS FOR HIGH THROUGHPUT ANALYSIS OF CONFORMATION IN BIOLOGICAL ENTITIES BLUELIGHT THERAPEUTICS INC (US) 2021-08-04 EP disclosed
EP-3237906-B1 ATTACHMENT OF PROTEINS TO INTERFACES FOR USE IN NONLINEAR OPTICAL DETECTION BIODESY INC (US) 2020-08-12 EP disclosed
US-10672502-B2 Methods for determining protein structure using a surface-selective nonlinear optical technique Biodesy, Inc. (US) 2020-06-02 US disclosed
US-20200132604-A1 METHODS OF DETERMINING PROTEIN STRUCTURE USING TWO-PHOTON FLUORESCENCE MEASUREMENTS BLUELIGHT THERAPEUTICS, INC. 2020-04-30 US disclosed
US-20190137510-A1 METHODS AND DEVICES FOR DETECTION OF PERIPHERAL MEMBRANE PROTEIN INTERACTIONS USING NONLINEAR OPTICAL TECHNIQUES QUANTA THERAPEUTICS, INC. 2019-05-09 US disclosed
US-20160292354-A1 METHODS FOR DETERMINING PROTEIN STRUCTURE USING A SURFACE-SELECTIVE NONLINEAR OPTICAL TECHNIQUE BLUELIGHT THERAPEUTICS, INC. 2016-10-06 US disclosed
WO-2003064991-A2 METHOD AND APPARATUS USING A NONLINEAR OPTICAL TECHNIQUE FOR DETECTION OF PROBE-TARGET INTERACTIONS IN A FIELD SALAFSKY JOSHUA S (US) 2003-08-07 WO disclosed
US-20020127563-A1 Method and apparatus using a surface-selective nonlinear optical technique for detection of probe-target interactions without labels BIODESY LLC 2002-09-12 US disclosed
WO-2002061415-A1 DESIGNS OF LABELS FOR DETECTION WITH A SURFACE-SELECTIVE NONLINEAR OPTICAL TECHNIQUE SALAFSKY JOSHUA S (US) 2002-08-08 WO disclosed
WO-2002054071-A1 METHOD AND APPARATUS USING A SURFACE-SELECTIVE NONLINEAR OPTICAL TECHNIQUE SALAFSKY JOSHUA S (US) 2002-07-11 WO disclosed
US-H334-H Oxazole dyes THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1987-09-01 US disclosed
US-4506368-A PHOTOSTABILITY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1985-03-19 US disclosed
US-4506368-A PHOTOSTABILITY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1985-03-19 US disclosed