SCHEMBL9809117

SCHEMBL9809117

CCc1c(SC#N)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
FPR2 P25090 2/20 0.43
POLB P06746 1/20 0.41
ALDH1A1 P00352 4/20 0.40
ALOX15 P16050 2/20 0.40
PTGS2 P35354 2/20 0.40
BCHE P06276 1/20 0.40
GAA P10253 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
THRB P10828 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
SCHEMBL9809088 0.84 FPR2 (0.47) FPR2POLBALDH1A1ALOX15PTGS2
SCHEMBL9809094 0.81 FPR2 (0.45) FPR2POLBALDH1A1ALOX15PTGS2
SCHEMBL3882745 0.81 CYP19A1 (0.56) CYP19A1MAOAMAOBPOLBALDH1A1
SCHEMBL9809063 0.80 BCHE (0.49) CYP19A1MAOAMAOBPOLBALDH1A1
SCHEMBL536896 0.80 CYP19A1 (0.55) CYP19A1MAOAMAOBPOLBALDH1A1
SCHEMBL9809128 0.80 ALDH1A1 (0.43) CYP19A1MAOAMAOBALDH1A1GAA
SCHEMBL9809114 0.76 CYP19A1 (0.43) CYP19A1MAOAMAOBPOLBALDH1A1
SCHEMBL9809067 0.75 CYP19A1 (0.42) CYP19A1MAOAMAOBFPR2POLB
SCHEMBL4318567 0.73 FPR2 (0.54) FPR2POLBALDH1A1ALOX15PTGS2
SCHEMBL17035250 0.73 PTGS2 (0.63) FPR2POLBALDH1A1ALOX15PTGS2

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