SCHEMBL529003

SCHEMBL529003

Cc1ccc(N(Cc2ccc(NC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1C

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.66
LMNA P02545 4/20 0.65
ALDH1A1 P00352 2/20 0.62
KDM4E B2RXH2 1/20 0.62
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HPGD P15428 1/20 0.57
GAA P10253 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
PTGES O14684 1/20 0.53

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
SCHEMBL527884 0.95 MAPT (0.74) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL531055 0.93 MAPT (0.71) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL528683 0.93 MAPT (0.77) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL528227 0.93 ALDH1A1 (0.64) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL528901 0.91 MAPT (0.74) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL528590 0.91 MAPT (0.63) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL528499 0.91 MAPT (0.63) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL528969 0.91 MAPT (0.60) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL529032 0.90 MAPT (0.77) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL528702 0.90 MAPT (0.58) MAPTLMNAALDH1A1KDM4EHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed