SCHEMBL4239245

SCHEMBL4239245

O=c1cc(CSc2ccc(F)cc2)cc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.49
MAOB P27338 3/20 0.49
DAO P14920 7/20 0.48
PKM P14618 1/20 0.38
HTT P42858 2/20 0.37
SOD1 P00441 1/20 0.37
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
CRBN Q96SW2 1/20 0.36
TP53 P04637 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
SCHEMBL22624852 0.72 ABL1 (0.39) MAPK13MAPK12MAPK11MAPK14CRBN
SCHEMBL12297819 0.71 SOD1 (0.70) MAOAMAOBDAOSOD1
SCHEMBL4243774 0.71 NSD2 (0.54) MAOAMAOBDAO
SCHEMBL12040303 0.70 MAOA (0.54) MAOAMAOBDAOPKM
SCHEMBL24416393 0.69 ABL1 (0.37) DAO
SCHEMBL21961226 0.68 ABL1 (0.36)
SCHEMBL3595568 0.68 ALDH1A1 (0.51) MAOAMAOBDAOSOD1
SCHEMBL1724299 0.68 MAOA (0.56) MAOAMAOBDAOSOD1
SCHEMBL1104966 0.67 MAOA (0.59) MAOAMAOBHTT
SCHEMBL6929568 0.67

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
WO-2009120655-A1 INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2009-10-01 WO disclosed