SCHEMBL528702

SCHEMBL528702

Cc1ccc(N(Cc2ccc(NC(=O)c3ccccc3C)cc2)S(=O)(=O)c2ccccc2)cc1C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.58
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 4/20 0.55
HTT P42858 2/20 0.53
GAA P10253 1/20 0.53
FFAR1 O14842 1/20 0.52
NR3C1 P04150 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48

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
SCHEMBL529639 0.91 MAPT (0.55) MAPTALDH1A1KDM4ELMNAHTT
SCHEMBL529051 0.91 MAPT (0.71) MAPTALDH1A1KDM4ELMNAHTT
SCHEMBL528041 0.90 HTT (0.56) MAPTALDH1A1KDM4ELMNAHTT
SCHEMBL529003 0.90 MAPT (0.66) MAPTALDH1A1KDM4ELMNAHTT
SCHEMBL529284 0.89 ALDH1A1 (0.56) MAPTALDH1A1KDM4ELMNAHTT
SCHEMBL529151 0.89 MAPT (0.52) MAPTALDH1A1KDM4ELMNAHTT
SCHEMBL528200 0.89 ALDH1A1 (0.55) MAPTALDH1A1KDM4ELMNAHTT
SCHEMBL528613 0.88 MAPT (0.54) MAPTALDH1A1KDM4ELMNAHTT
SCHEMBL528340 0.88 FFAR1 (0.51) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL527884 0.87 MAPT (0.74) MAPTALDH1A1KDM4ELMNAHTT

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