SCHEMBL9809125

SCHEMBL9809125

Cc1ccc(-n2c(=O)c(SC#N)c(C)n2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.44
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 5/20 0.40
ALOX15 P16050 2/20 0.40
BCHE P06276 1/20 0.40
PTGS2 P35354 1/20 0.40
KMT2A Q03164 3/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
FPR2 P25090 1/20 0.39
CYP1A2 P05177 1/20 0.38
THRB P10828 1/20 0.38
NAPRT Q6XQN6 1/20 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
SCHEMBL9809107 0.88 CYP19A1 (0.43) CYP19A1MAOAMAOBALDH1A1ALOX15
SCHEMBL3882745 0.88 CYP19A1 (0.56) CYP19A1MAOAMAOBALDH1A1ALOX15
SCHEMBL536896 0.87 CYP19A1 (0.55) CYP19A1MAOAMAOBALDH1A1ALOX15
SCHEMBL9809064 0.78 NOX4 (0.45) CYP19A1MAOAMAOBALDH1A1ALOX15
SCHEMBL9809062 0.77 CYP19A1 (0.38) CYP19A1MAOAMAOBALDH1A1ALOX15
SCHEMBL9809100 0.72 MAPT (0.38) CYP19A1MAOAMAOBALDH1A1KMT2A
SCHEMBL9809063 0.72 BCHE (0.49) CYP19A1MAOAMAOBALDH1A1ALOX15
SCHEMBL9809111 0.72 CYP19A1 (0.37) CYP19A1MAOAMAOBALDH1A1ALOX15
SCHEMBL9809114 0.71 CYP19A1 (0.43) CYP19A1MAOAMAOBALDH1A1ALOX15
SCHEMBL23907007 0.70 ALDH1A1 (0.46) ALDH1A1ALOX15BCHEPTGS2KMT2A

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