SCHEMBL7388699

SCHEMBL7388699

COC(=O)CCc1ccc(NC(=O)N(NC(C)=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 3/20 0.40
CNR1 P21554 1/20 0.40
EPHX2 P34913 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
IL18 Q14116 1/20 0.39
PSMB5 P28074 1/20 0.39
RORC P51449 3/20 0.39
IDO1 P14902 2/20 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
SCHEMBL8571795 0.91 MAPT (0.43) SAE1UBA2MAPTALDH1A1POLB
SCHEMBL7395422 0.89 BRD4 (0.43) CYP11B1CYP11B2MAPTALDH1A1MEN1
SCHEMBL7394542 0.88 CYP11B1 (0.40) CYP11B1CYP11B2SAE1UBA2MAPT
SCHEMBL7396220 0.87 RORC (0.42) CYP11B1CYP11B2MAPTALDH1A1POLB
SCHEMBL8912114 0.86 CYP11B1 (0.42) CYP11B1CYP11B2SAE1UBA2MAPT
SCHEMBL8912089 0.86 CYP11B1 (0.42) CYP11B1CYP11B2SAE1UBA2MAPT
SCHEMBL8911510 0.82 ALDH1A1 (0.44) SAE1UBA2MAPTALDH1A1POLB
SCHEMBL8912130 0.81 CYP11B1 (0.43) CYP11B1CYP11B2SAE1UBA2MAPT
SCHEMBL8911321 0.79 PSMB5 (0.43) CYP11B1CYP11B2SAE1UBA2MAPT
SCHEMBL8911515 0.79 CYP11B1 (0.41) CYP11B1CYP11B2SAE1UBA2MAPT

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 4 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
EP-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed