SCHEMBL528087

SCHEMBL528087

CCS(=O)(=O)N(Cc1ccc(NC(=O)c2ccccc2)cc1)c1ccc(C)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MAPT P10636 9/20 0.53
LMNA P02545 4/20 0.53
MEN1 O00255 2/20 0.52
NPSR1 Q6W5P4 2/20 0.50
FKBP5 Q13451 1/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
GALR3 O60755 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
SCHEMBL529259 0.91 MAPT (0.55) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL527900 0.91 MAPT (0.60) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL529287 0.90 KMT2A (0.64) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL528823 0.89 MAPT (0.53) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL528511 0.89 KMT2A (0.52) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL528010 0.89 SMN1; SMN2 (0.52) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL528111 0.89 MAPT (0.48) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL529003 0.88 MAPT (0.66) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL528340 0.88 FFAR1 (0.51) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL528399 0.88 MAPT (0.56) KMT2ANPC1RAB9AMAPTLMNA

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