SCHEMBL529639

SCHEMBL529639

Cc1ccc(N(Cc2ccc(NC(=O)c3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
HTT P42858 2/20 0.53
GAA P10253 1/20 0.53
LMNA P02545 4/20 0.52
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GPR27 Q9NS67 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NR3C1 P04150 1/20 0.49
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
MEN1 O00255 2/20 0.47
SMO Q99835 1/20 0.47

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
SCHEMBL528702 0.91 MAPT (0.58) MAPTHTTGAALMNAALDH1A1
SCHEMBL528041 0.90 HTT (0.56) MAPTHTTGAALMNAKMT2A
SCHEMBL528658 0.89 ALDH1A1 (0.53) MAPTHTTLMNAKMT2AALDH1A1
SCHEMBL529051 0.89 MAPT (0.71) MAPTHTTGAALMNAKMT2A
SCHEMBL528672 0.88 SMO (0.46) MAPTKMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL527865 0.87 SMO (0.47) MAPTLMNAKMT2AALDH1A1HPGD
SCHEMBL529297 0.87 MAPT (0.59) MAPTHTTGAALMNAKMT2A
SCHEMBL529003 0.87 MAPT (0.66) MAPTHTTGAALMNAKMT2A
SCHEMBL529284 0.87 ALDH1A1 (0.56) MAPTHTTGAALMNAKMT2A
SCHEMBL528227 0.86 ALDH1A1 (0.64) MAPTHTTLMNAKMT2AALDH1A1

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