SCHEMBL8912795

SCHEMBL8912795

COC(=O)CCCc1ccc(N(CCO)C(=O)Nc2ccc(C#N)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
PSMB5 P28074 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CNR1 P21554 1/20 0.39
LIMK1 P53667 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MCL1 Q07820 1/20 0.38

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 0.94 CYP11B1 (0.43) EPHX2SAE1UBA2PSMB5CYP11B1
SCHEMBL8911515 0.90 CYP11B1 (0.41) EPHX2SAE1UBA2PSMB5CYP11B1
SCHEMBL8911497 0.87 PSMB5 (0.38) EPHX2SAE1UBA2PSMB5CYP11B1
SCHEMBL8911146 0.83 USP2 (0.41) SAE1UBA2PSMB5USP2HSD17B10
SCHEMBL8575317 0.82 LIMK1 (0.46) PSMB5USP2HSD17B10LIMK1MAPT
SCHEMBL8910427 0.82 HTT (0.40) SAE1UBA2PSMB5USP2HSD17B10
SCHEMBL8911091 0.81 ALDH1A1 (0.40) EPHX2SAE1UBA2PSMB5CYP11B1
SCHEMBL8574886 0.81 ALDH1A1 (0.41) EPHX2SAE1UBA2PSMB5CYP11B1
SCHEMBL8911321 0.80 PSMB5 (0.43) EPHX2SAE1UBA2PSMB5CYP11B1
SCHEMBL8910422 0.80 RORC (0.41) SAE1UBA2USP2HSD17B10LIMK1

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