SCHEMBL15097608

SCHEMBL15097608

COSc1cc(C#N)c(C(C)C)c(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.39
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37
MCL1 Q07820 1/20 0.34
KDM5A P29375 1/20 0.32
IMPDH2 P12268 1/20 0.30
IMPDH1 P20839 1/20 0.30
AKR1B1 P15121 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL13748017 0.79 MAOA (0.40) ARMAOBMAOAMCL1KDM5A
SCHEMBL15097612 0.77 AR (0.43) ARMAOBMAOAMCL1KDM4E
SCHEMBL13748048 0.77 AR (0.49) ARMAOBMAOAMCL1KDM5A
SCHEMBL13748818 0.75 ALDH1A1 (0.40) ARMAOBIMPDH2IMPDH1AKR1B1
SCHEMBL15097118 0.74 MAOB (0.33) ARMAOBMAOAKDM4EUSP2
SCHEMBL13748261 0.74 MAOA (0.44) ARMAOBMAOAMCL1KDM5A
SCHEMBL24407384 0.71 KDM5A (0.37) ARMAOBMAOAKDM5AAKR1B1
SCHEMBL15097609 0.71 HTR2A (0.30)
SCHEMBL13748102 0.69 CYP11B1 (0.40) ARKDM5AALDH1A1
SCHEMBL13748798 0.68 AR (0.44) ARMAOBMAOAMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130177851-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-11 US disclosed