SCHEMBL9809114

SCHEMBL9809114

CCCn1c(C)c(SC#N)c(=O)n1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.43
POLB P06746 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 5/20 0.38
ALOX15 P16050 2/20 0.38
BCHE P06276 1/20 0.38
PTGS2 P35354 1/20 0.38
GAA P10253 5/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 3/20 0.38
ADORA3 P0DMS8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL9809067 0.89 CYP19A1 (0.42) CYP19A1POLBMAOAMAOBMEN1
SCHEMBL3882745 0.82 CYP19A1 (0.56) CYP19A1POLBMAOAMAOBMEN1
SCHEMBL536896 0.81 CYP19A1 (0.55) CYP19A1POLBMAOAMAOBMEN1
SCHEMBL9809117 0.76 CYP19A1 (0.45) CYP19A1POLBMAOAMAOBMEN1
SCHEMBL17035227 0.75 BCHE (0.64) POLBMEN1KMT2ANPSR1ALDH1A1
SCHEMBL9809061 0.74 MGLL (0.37) POLBKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL9809118 0.73 POLB (0.42) POLBMEN1KMT2ANPSR1ALDH1A1
SCHEMBL198057 0.72 ABCB1 (0.50) POLBMAOAMAOBALDH1A1ALOX15
SCHEMBL9809063 0.72 BCHE (0.49) CYP19A1POLBMAOAMAOBMEN1
SCHEMBL23403198 0.72 TSHR (0.45) POLBMEN1KMT2AALDH1A1GAA

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