SCHEMBL8969388

SCHEMBL8969388

N#Cc1ccc(Oc2ccccc2)c(NC(=O)Nc2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
AHR P35869 1/20 0.51
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
CXCR1 P25024 1/20 0.50
CXCR2 P25025 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TP53 P04637 1/20 0.49
RECQL P46063 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 2/20 0.48
RAF1 P04049 1/20 0.48
GRM5 P41594 1/20 0.48
KDM4E B2RXH2 1/20 0.47
NOTUM Q6P988 1/20 0.47
SGMS2 Q8NHU3 1/20 0.47

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
SCHEMBL8968849 0.81 CYP11B1 (0.53) HSD17B10ALDH1A1MAPK1AHRCYP11B1
SCHEMBL8968218 0.78 CYP11B1 (0.54) HSD17B10ALDH1A1MAPK1AHRCYP11B1
SCHEMBL17079612 0.76 MEN1 (0.67) HSD17B10ALDH1A1CYP11B1CYP11B2NPC1
SCHEMBL11164984 0.72 MAPT (0.46) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL10665495 0.71 RAB9A (0.79) ALDH1A1AHRNPC1RAB9ATP53
SCHEMBL14324148 0.71 ALDH1A1 (0.57) HSD17B10ALDH1A1MAPK1AHRNPC1
SCHEMBL1649298 0.71 LRRK2 (0.77) SGMS2
SCHEMBL11162497 0.70 EPHX1 (0.54) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL9637653 0.70 MEN1 (0.77) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL30051982 0.70 MEN1 (0.77) ALDH1A1NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0656350-A1 Biaryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-07 EP claimed
US-5547966-A Aryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-20 US disclosed
EP-0656350-A1 Biaryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-07 EP disclosed