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SCHEMBL527918

SCHEMBL527918

COc1ccc(C(=O)Nc2ccc(CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)cc2)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ HTT P42858 2/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ MAPT P10636 11/20 0.57
▸ KDM4E B2RXH2 4/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ LMNA P02545 3/20 0.56
▸ ROCK2 O75116 1/20 0.52
▸ NPC1 O15118 1/20 0.50
▸ THRB P10828 1/20 0.49

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
SCHEMBL528391 0.89 MAPT (0.62) HPGDALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL528578 0.88 ROCK2 (0.53) HPGDALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL528901 0.87 MAPT (0.74) HPGDALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL528227 0.87 ALDH1A1 (0.64) HPGDALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL528858 0.86 ROCK2 (0.51) HPGDALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL528276 0.85 ROCK2 (0.51) HPGDALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL529003 0.85 MAPT (0.66) HPGDALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL529032 0.85 MAPT (0.77) HPGDALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL529284 0.85 ALDH1A1 (0.56) HPGDALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL528499 0.85 MAPT (0.63) HPGDALDH1A1HTTSMN1; SMN2MAPT

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-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 — — WO disclosed