SCHEMBL5000786

SCHEMBL5000786

O=C(O)[C@H](Cn1ccc(=O)[nH]c1=O)NF

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DUT P33316 12/20 0.50
PKM P14618 1/20 0.49
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
CRBN Q96SW2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL5001166 0.87 DUT (0.51) DUTPKMALDH1A1LMNACRBN
SCHEMBL4311546 0.85 DUT (0.50) DUTPKMALDH1A1LMNACRBN
(S)-Willardiine SCHEMBL401191 0.77 GRIA1 (0.56) DUTPKMALDH1A1LMNAKDM4E
SCHEMBL7136481 0.77 PKM (0.56) DUTPKMALDH1A1LMNACRBN
(S)-Willardiine SCHEMBL438494 0.77 GRIA1 (0.56) DUTPKMALDH1A1LMNAKDM4E
SCHEMBL24115349 0.77 PKM (0.52) DUTPKMALDH1A1LMNACRBN
SCHEMBL3635924 0.75 DUT (0.57) DUTPKMALDH1A1LMNACRBN
SCHEMBL23873265 0.74 PKM (0.60) DUTPKMALDH1A1LMNACRBN
SCHEMBL26916421 0.74 PKM (0.60) DUTPKMALDH1A1LMNACRBN
SCHEMBL28803795 0.72 ALDH1A1 (0.54) DUTPKMALDH1A1LMNACRBN

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
EP-3681504-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE Icagen, Inc. (US) 2020-07-22 EP disclosed
WO-2019055754-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN, INC. (US) 2019-03-21 WO disclosed
WO-2018204764-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION (US) 2018-11-08 WO disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed