SCHEMBL9809107

SCHEMBL9809107

Cc1c(SC#N)c(=O)n(-c2ccc(I)cc2)n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.43
BCHE P06276 3/20 0.42
FPR2 P25090 1/20 0.41
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 2/20 0.38
PTGS2 P35354 1/20 0.38
GAA P10253 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 2/20 0.36
THRB P10828 1/20 0.36
NAPRT Q6XQN6 1/20 0.36

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
SCHEMBL9809125 0.88 CYP19A1 (0.44) CYP19A1BCHEFPR2MAOAMAOB
SCHEMBL3882745 0.85 CYP19A1 (0.56) CYP19A1BCHEMAOAMAOBALDH1A1
SCHEMBL536896 0.84 CYP19A1 (0.55) CYP19A1BCHEMAOAMAOBALDH1A1
SCHEMBL9809075 0.83 BCHE (0.47) BCHEFPR2ALDH1A1ALOX15PTGS2
SCHEMBL9809079 0.81 BCHE (0.45) BCHEFPR2ALDH1A1ALOX15PTGS2
SCHEMBL9809064 0.76 NOX4 (0.45) CYP19A1BCHEFPR2MAOAMAOB
SCHEMBL9809062 0.74 CYP19A1 (0.38) CYP19A1BCHEMAOAMAOBALDH1A1
SCHEMBL9809100 0.70 MAPT (0.38) CYP19A1MAOAMAOBALDH1A1GAA
SCHEMBL9809063 0.70 BCHE (0.49) CYP19A1BCHEMAOAMAOBALDH1A1
SCHEMBL9809111 0.69 CYP19A1 (0.37) CYP19A1MAOAMAOBALDH1A1ALOX15

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