SCHEMBL528588

SCHEMBL528588

Cc1ccc(N(Cc2cccc(C(=O)Nc3ccccc3Oc3ccccc3)c2)S(C)(=O)=O)cc1C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.56
LMNA P02545 4/20 0.56
MAPT P10636 9/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 1/20 0.50
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
PYGM P11217 1/20 0.44

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
SCHEMBL528770 0.91 MAPT (0.60) NPSR1LMNAMAPTALDH1A1KDM4E
SCHEMBL527908 0.90 MAPT (0.61) LMNAMAPTALDH1A1KDM4EHPGD
SCHEMBL528501 0.89 ALDH1A1 (0.52) NPSR1LMNAMAPTALDH1A1KDM4E
SCHEMBL528415 0.88 LMNA (0.57) LMNAMAPTALDH1A1KDM4EHPGD
SCHEMBL528224 0.87 ALDH1A1 (0.56) NPSR1LMNAMAPTALDH1A1KDM4E
SCHEMBL529217 0.87 MEN1 (0.52) NPSR1LMNAMAPTALDH1A1KDM4E
SCHEMBL528832 0.84 MAPT (0.53) NPSR1LMNAMAPTALDH1A1KDM4E
SCHEMBL529222 0.84 ALDH1A1 (0.53) NPSR1LMNAMAPTALDH1A1KDM4E
SCHEMBL528469 0.83 ALDH1A1 (0.57) NPSR1LMNAMAPTALDH1A1KDM4E
SCHEMBL528625 0.83 MAPT (0.54) NPSR1LMNAMAPTALDH1A1KDM4E

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