SCHEMBL528352

SCHEMBL528352

Cc1ccc(N(Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.78
HTT P42858 3/20 0.78
LMNA P02545 4/20 0.61
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
KCNH2 Q12809 1/20 0.46
RAB9A P51151 1/20 0.46
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL528258 0.87 MAPT (0.59) MAPTHTTLMNAALDH1A1HPGD
SCHEMBL529586 0.87 MAPT (0.59) MAPTHTTLMNAALDH1A1HPGD
SCHEMBL528805 0.86 MAPT (0.58) MAPTHTTLMNAALDH1A1HPGD
SCHEMBL528854 0.84 MAPT (0.56) MAPTHTTLMNAALDH1A1HPGD
SCHEMBL528208 0.84 ALDH1A1 (0.64) MAPTHTTLMNAALDH1A1HPGD
SCHEMBL529419 0.81 MAPT (0.61) MAPTHTTLMNAALDH1A1HPGD
SCHEMBL528383 0.79 NPSR1 (0.65) MAPTHTTLMNAALDH1A1HPGD
SCHEMBL528449 0.79 ALDH1A1 (0.67) MAPTHTTLMNAALDH1A1HPGD
SCHEMBL528386 0.78 MAPT (0.53) MAPTHTTLMNAALDH1A1HPGD
SCHEMBL528646 0.78 ALDH1A1 (0.59) MAPTHTTLMNAALDH1A1HPGD

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