SCHEMBL8910422

SCHEMBL8910422

COC(=O)CC(C)(C)c1ccc(N(CCO)C(=O)Nc2ccc(C#N)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.41
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MLYCD O95822 1/20 0.39
LIMK1 P53667 4/20 0.38
MCHR1 Q99705 4/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
IL18 Q14116 1/20 0.38
ROCK2 O75116 3/20 0.36
ROCK1 Q13464 3/20 0.36
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35

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
SCHEMBL8911184 0.87 RORC (0.40) RORCUSP2HSD17B10MLYCDMCHR1
SCHEMBL8575317 0.82 LIMK1 (0.46) USP2HSD17B10LIMK1KDM4EMEN1
SCHEMBL8912130 0.81 CYP11B1 (0.43) RORCUSP2HSD17B10LIMK1MCHR1
SCHEMBL8912795 0.80 EPHX2 (0.41) RORCUSP2HSD17B10LIMK1MCHR1
SCHEMBL8910427 0.78 HTT (0.40) RORCUSP2HSD17B10LIMK1MCHR1
SCHEMBL8573873 0.77 HSD17B10 (0.43) RORCUSP2HSD17B10LIMK1MCHR1
SCHEMBL8912007 0.76 CA12 (0.43) RORCUSP2HSD17B10LIMK1MCHR1
SCHEMBL8912006 0.76 CA12 (0.43) RORCUSP2HSD17B10LIMK1MCHR1
SCHEMBL8911515 0.76 CYP11B1 (0.41) RORCUSP2HSD17B10MCHR1KDM4E
SCHEMBL8911146 0.75 USP2 (0.41) RORCUSP2HSD17B10LIMK1MCHR1

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
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed