SCHEMBL8968218

SCHEMBL8968218

CC(C)(C)c1ccc(C#N)cc1NC(=O)Nc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
ATM Q13315 1/20 0.53
AHR P35869 1/20 0.49
HTT P42858 3/20 0.49
NPC1 O15118 3/20 0.49
ALDH1A1 P00352 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 1/20 0.48
CXCR1 P25024 1/20 0.48
CXCR2 P25025 1/20 0.48
MAPK1 P28482 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
BRAF P15056 1/20 0.47
MAPK13 O15264 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
SCHEMBL8970501 0.87 CXCR1 (0.45) CYP11B1CYP11B2MEN1KMT2AMAPT
SCHEMBL8968747 0.85 CXCR1 (0.49) MEN1KMT2AMAPTLMNAHTT
SCHEMBL8968160 0.85 CXCR2 (0.65) MEN1KMT2AMAPTLMNAHTT
SCHEMBL8968203 0.84 ABCC9 (0.45) CYP11B1CYP11B2MEN1KMT2AMAPT
SCHEMBL8968199 0.84 ABCC9 (0.45) CYP11B1CYP11B2MEN1KMT2AMAPT
SCHEMBL8968172 0.81 RAB9A (0.52) MEN1KMT2AMAPTHTTNPC1
SCHEMBL8968849 0.81 CYP11B1 (0.53) CYP11B1CYP11B2MEN1KMT2AMAPT
SCHEMBL17079612 0.80 MEN1 (0.67) CYP11B1CYP11B2MEN1KMT2AMAPT
SCHEMBL8968177 0.78 NPC1 (0.54) CYP11B1CYP11B2MEN1KMT2AMAPT
SCHEMBL8969388 0.78 HSD17B10 (0.53) CYP11B1CYP11B2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5547966-A Aryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-20 US claimed
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