SCHEMBL2558296

SCHEMBL2558296

Nc1c(C=O)sc2nc3c(cc12)CCCC3

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.60
RAB9A P51151 11/20 0.60
KDM4E B2RXH2 8/20 0.60
ALDH1A1 P00352 5/20 0.60
POLB P06746 3/20 0.60
EEF2K O00418 2/20 0.60
MAPT P10636 7/20 0.59
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 11/20 0.58
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
HSD17B10 Q99714 2/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54

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
SCHEMBL18999973 0.99 NPC1 (0.62) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL19000383 0.97 NPC1 (0.61) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL18537646 0.81 NPC1 (0.41) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL18537589 0.79 ALDH1A1 (0.59) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL13154828 0.78 KDM4E (0.63) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL14954806 0.76 NPC1 (0.78) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL19769212 0.76 RAB9A (0.97) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL14955121 0.75 NPC1 (0.81) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL12562439 0.75 NPC1 (0.76) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL29858907 0.75 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
EP-3181568-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2017-06-21 EP disclosed
EP-2400845-B1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECH INC (US) 2017-02-22 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed