SCHEMBL9809111

SCHEMBL9809111

Cc1c(SC#N)c(=O)n(-c2cccc(Cl)n2)n1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.37
HTR3E A5X5Y0 3/20 0.37
HTR3B O95264 3/20 0.37
HTR3A P46098 3/20 0.37
HTR3D Q70Z44 3/20 0.37
HTR3C Q8WXA8 3/20 0.37
ALOX5 P09917 2/20 0.33
XPO1 O14980 1/20 0.32
PSMB8 P28062 1/20 0.32
ALDH1A1 P00352 5/20 0.31
MEN1 O00255 5/20 0.31
KMT2A Q03164 5/20 0.31
MAPT P10636 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
CHRM4 P08173 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP2D6 P10635 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
SCHEMBL9809091 0.85 HTR3E (0.41) CYP19A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL9809099 0.83 HTR3E (0.39) CYP19A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL9809062 0.80 CYP19A1 (0.38) CYP19A1PSMB8ALDH1A1MEN1KMT2A
SCHEMBL3882745 0.74 CYP19A1 (0.56) CYP19A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9809100 0.73 MAPT (0.38) CYP19A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL536896 0.73 CYP19A1 (0.55) CYP19A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9809125 0.72 CYP19A1 (0.44) CYP19A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9809064 0.71 NOX4 (0.45) CYP19A1ALOX5ALDH1A1MEN1KMT2A
SCHEMBL9809107 0.69 CYP19A1 (0.43) CYP19A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL17035402 0.67 NAPRT (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C

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-5063245-A Hormone inhibitors NOVA PHARMACEUTICAL CORPORATION (US) 1991-11-05 US disclosed