SCHEMBL529226

SCHEMBL529226

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
GFER P55789 1/20 0.48
MAPT P10636 7/20 0.47
LMNA P02545 3/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
POLB P06746 1/20 0.43
BRAF P15056 1/20 0.42

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
SCHEMBL529437 0.90 MAPT (0.58) SMN1; SMN2MAPTLMNARAB9ANPC1
SCHEMBL528370 0.89 MAPT (0.52) SMN1; SMN2MAPTLMNARAB9ANPC1
SCHEMBL528754 0.89 MAPT (0.56) SMN1; SMN2CYP1A2CYP2C19GFERMAPT
SCHEMBL528124 0.89 KMT2A (0.53) SMN1; SMN2MAPTLMNARAB9ANPC1
SCHEMBL528931 0.89 MAPT (0.47) SMN1; SMN2MAPTLMNARAB9ANPC1
SCHEMBL528010 0.89 SMN1; SMN2 (0.52) SMN1; SMN2CYP1A2CYP2C19GFERMAPT
SCHEMBL528238 0.87 MAPT (0.59) SMN1; SMN2MAPTLMNARAB9ANPC1
SCHEMBL528568 0.86 CCR2 (0.47) SMN1; SMN2MAPTLMNANPSR1POLB
SCHEMBL528590 0.86 MAPT (0.63) SMN1; SMN2CYP1A2CYP2C19GFERMAPT
SCHEMBL528329 0.86 MAPT (0.47) SMN1; SMN2MAPTLMNARAB9ANPC1

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