SCHEMBL8968177

SCHEMBL8968177

CC(C)(C)c1ccc(C#N)c(NC(=O)Nc2cccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
NAMPT P43490 1/20 0.52
ATM Q13315 1/20 0.52
HTT P42858 3/20 0.48
ALDH1A1 P00352 2/20 0.48
AHR P35869 1/20 0.48
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
FLT3 P36888 1/20 0.47
MAPK1 P28482 1/20 0.46
EPHX2 P34913 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL8968841 0.81 NPC1 (0.55) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL23343643 0.79 NAMPT (0.79) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL8968218 0.78 CYP11B1 (0.54) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9188530 0.75 MEN1 (0.67) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9637653 0.72 MEN1 (0.77) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL30051982 0.72 MEN1 (0.77) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL17079612 0.71 MEN1 (0.67) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL495951 0.71 KIF11 (0.58) MEN1KMT2AMAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL29388210 0.71 MEN1 (0.74) NPC1RAB9AMEN1KMT2AMAPT
Bromide SCHEMBL29417998 0.71 MEN1 (0.74) NPC1RAB9AMEN1KMT2AMAPT

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