SCHEMBL529151

SCHEMBL529151

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.52
LMNA P02545 4/20 0.50
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 2/20 0.48
GAA P10253 1/20 0.48
NR3C1 P04150 2/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44

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
SCHEMBL528262 0.89 MAPT (0.42) MAPTLMNAALDH1A1KDM4EHPGD
SCHEMBL528702 0.89 MAPT (0.58) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL528251 0.87 MAPT (0.41) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL529051 0.86 MAPT (0.71) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL529639 0.86 MAPT (0.55) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL528969 0.85 MAPT (0.60) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL529003 0.85 MAPT (0.66) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL529284 0.84 ALDH1A1 (0.56) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL527969 0.84 MAPT (0.60) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL528041 0.83 HTT (0.56) 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 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