SCHEMBL528754

SCHEMBL528754

Cc1ccc(N(Cc2ccc(NC(=O)c3cccc(F)c3)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
NPSR1 Q6W5P4 4/20 0.56
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
GFER P55789 1/20 0.50
HTT P42858 1/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 4/20 0.49
KCNH2 Q12809 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46

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
SCHEMBL528010 0.91 SMN1; SMN2 (0.52) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL528242 0.90 MAPT (0.64) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL529349 0.90 MAPT (0.61) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL529226 0.89 SMN1; SMN2 (0.48) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL528646 0.89 ALDH1A1 (0.59) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL529287 0.89 KMT2A (0.64) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL528590 0.89 MAPT (0.63) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL528820 0.88 MAPT (0.56) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL528344 0.88 MAPT (0.56) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL528395 0.88 MAPT (0.56) MAPTNPSR1MEN1KMT2AALDH1A1

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