SCHEMBL529287

SCHEMBL529287

Cc1ccc(N(Cc2ccc(NC(=O)c3ccccc3)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
MAPT P10636 6/20 0.61
NPSR1 Q6W5P4 3/20 0.61
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 1/20 0.58
HPGD P15428 1/20 0.58
LMNA P02545 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 1/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL528058 0.96 MEN1 (0.67) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL529360 0.91 LMNA (0.67) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL529349 0.90 MAPT (0.61) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL528087 0.90 KMT2A (0.55) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL528112 0.89 KMT2A (0.70) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL529003 0.89 MAPT (0.66) KMT2AMAPTALDH1A1KDM4EHPGD
SCHEMBL528077 0.89 SMN1; SMN2 (0.57) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL528646 0.89 ALDH1A1 (0.59) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL528714 0.89 SMN1; SMN2 (0.57) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL528307 0.89 KMT2A (0.63) KMT2AMEN1MAPTNPSR1ALDH1A1

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