SCHEMBL9253364

SCHEMBL9253364

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
EPHX2 P34913 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 2/20 0.47
POLB P06746 4/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CTDSP1 Q9GZU7 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 2/20 0.44
PRSS1 P07477 1/20 0.44

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
SCHEMBL1338556 0.90 CYP11B1 (0.60) CYP11B1CYP11B2MEN1KMT2ARAB9A
SCHEMBL9238331 0.88 MLYCD (0.53) CYP11B1CYP11B2MEN1KMT2ARAB9A
SCHEMBL9267010 0.88 RAB9A (0.62) CYP11B1CYP11B2EPHX2MEN1KMT2A
SCHEMBL9264988 0.86 EPHX2 (0.49) CYP11B1CYP11B2EPHX2MEN1KMT2A
SCHEMBL3628694 0.85 CYP11B1 (0.56) CYP11B1CYP11B2MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL3628690 0.84 CYP11B1 (0.55) CYP11B1CYP11B2MEN1KMT2APOLB
SCHEMBL9271016 0.82 MEN1 (0.50) CYP11B1CYP11B2EPHX2MEN1KMT2A
SCHEMBL9256110 0.81 KMT2A (0.63) MAOAMAOBMEN1KMT2ACYP1A2
SCHEMBL1337450 0.81 CYP11B1 (0.54) CYP11B1CYP11B2EPHX2POLBMAPT
Phenyl Propionic Acid SCHEMBL7330085 0.81 FFAR1 (0.56) CYP11B1CYP11B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed