SCHEMBL8910427

SCHEMBL8910427

COC(=O)CC(C)Cc1ccc(N(CCO)C(=O)Nc2ccc(C#N)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
PSMB5 P28074 1/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LIMK1 P53667 2/20 0.37
F2R P25116 1/20 0.37
MCHR1 Q99705 4/20 0.36
RORC P51449 4/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
IL18 Q14116 1/20 0.36

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
SCHEMBL8912130 0.84 CYP11B1 (0.43) SAE1UBA2PSMB5USP2HSD17B10
SCHEMBL8912795 0.82 EPHX2 (0.41) SAE1UBA2PSMB5USP2HSD17B10
SCHEMBL8575317 0.81 LIMK1 (0.46) HTTPSMB5USP2HSD17B10LIMK1
SCHEMBL8911515 0.78 CYP11B1 (0.41) SAE1UBA2PSMB5USP2HSD17B10
SCHEMBL8910422 0.78 RORC (0.41) SAE1UBA2USP2HSD17B10LIMK1
SCHEMBL8911146 0.77 USP2 (0.41) SAE1UBA2PSMB5USP2HSD17B10
SCHEMBL8911321 0.76 PSMB5 (0.43) HTTSAE1UBA2PSMB5F2R
SCHEMBL8570142 0.75 USP2 (0.44) USP2HSD17B10LIMK1KDM4EMEN1
SCHEMBL8912006 0.75 CA12 (0.43) USP2HSD17B10LIMK1MCHR1RORC
SCHEMBL8912007 0.75 CA12 (0.43) USP2HSD17B10LIMK1MCHR1RORC

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