SCHEMBL8912348

SCHEMBL8912348

COC(=O)CCc1ccc(N(CCO)C(=O)Nc2ccc(C#N)cc2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
EPHX2 P34913 4/20 0.37
POLB P06746 3/20 0.36
LIMK1 P53667 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PSMB5 P28074 1/20 0.36
RORC P51449 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 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
SCHEMBL8912183 0.90 KMT2A (0.40) CYP11B1CYP11B2MEN1KMT2ASAE1
SCHEMBL8571774 0.90 CYP11B1 (0.39) CYP11B1CYP11B2MEN1KMT2ASAE1
SCHEMBL8573514 0.90 CYP11B1 (0.41) CYP11B1CYP11B2MEN1KMT2ASAE1
SCHEMBL8910893 0.88 CYP11B1 (0.38) CYP11B1CYP11B2MEN1KMT2ASAE1
SCHEMBL8912796 0.87 MEN1 (0.40) CYP11B1CYP11B2MEN1KMT2ATP53
SCHEMBL8912130 0.85 CYP11B1 (0.43) CYP11B1CYP11B2MEN1KMT2ASAE1
SCHEMBL8912795 0.79 EPHX2 (0.41) CYP11B1CYP11B2MEN1KMT2ASAE1
SCHEMBL8911515 0.79 CYP11B1 (0.41) CYP11B1CYP11B2MEN1KMT2ASAE1
SCHEMBL8570032 0.78 ALDH1A1 (0.38) CYP11B1CYP11B2MEN1KMT2ATP53
SCHEMBL8913188 0.78 PTGER1 (0.37) 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 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