SCHEMBL9809063

SCHEMBL9809063

Cn1c(N)c(SC#N)c(=O)n1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.49
PTGS2 P35354 1/20 0.49
CYP19A1 P11511 2/20 0.46
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 3/20 0.41
ADORA3 P0DMS8 1/20 0.41
TSHR P16473 2/20 0.40
CYP1A2 P05177 2/20 0.40
THRB P10828 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 3/20 0.39

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
SCHEMBL3882745 0.84 CYP19A1 (0.56) BCHEPTGS2CYP19A1MAOAMAOB
SCHEMBL536896 0.82 CYP19A1 (0.55) BCHEPTGS2CYP19A1MAOAMAOB
SCHEMBL9809117 0.80 CYP19A1 (0.45) BCHEPTGS2CYP19A1MAOAMAOB
SCHEMBL945107 0.74 BCHE (0.71) BCHEPTGS2ALDH1A1ALOX15SMN1; SMN2
SCHEMBL9809114 0.72 CYP19A1 (0.43) BCHEPTGS2CYP19A1MAOAMAOB
SCHEMBL9809125 0.72 CYP19A1 (0.44) BCHEPTGS2CYP19A1MAOAMAOB
SCHEMBL9809128 0.72 ALDH1A1 (0.43) CYP19A1MAOAMAOBALDH1A1SMN1; SMN2
SCHEMBL9809067 0.71 CYP19A1 (0.42) BCHEPTGS2CYP19A1MAOAMAOB
SCHEMBL9809107 0.70 CYP19A1 (0.43) BCHEPTGS2CYP19A1MAOAMAOB
SCHEMBL9809064 0.69 NOX4 (0.45) BCHEPTGS2CYP19A1MAOAMAOB

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