SCHEMBL528010

SCHEMBL528010

CCS(=O)(=O)N(Cc1ccc(NC(=O)c2cccc(F)c2)cc1)c1ccc(C)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
GFER P55789 1/20 0.52
MAPT P10636 7/20 0.48
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.44
BRAF P15056 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43

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
SCHEMBL528754 0.91 MAPT (0.56) SMN1; SMN2CYP1A2CYP2C19GFERMAPT
SCHEMBL527900 0.90 MAPT (0.60) SMN1; SMN2MAPTLMNANPSR1KDM4E
SCHEMBL528823 0.89 MAPT (0.53) SMN1; SMN2MAPTLMNANPSR1KDM4E
SCHEMBL528087 0.89 KMT2A (0.55) SMN1; SMN2MAPTLMNANPSR1KDM4E
SCHEMBL529226 0.89 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2CYP2C19GFERMAPT
SCHEMBL528111 0.88 MAPT (0.48) SMN1; SMN2MAPTLMNANPSR1KDM4E
SCHEMBL528590 0.88 MAPT (0.63) SMN1; SMN2CYP1A2CYP2C19GFERMAPT
SCHEMBL529579 0.87 MAPT (0.61) SMN1; SMN2MAPTLMNAKDM4ENPC1
SCHEMBL528642 0.86 LMNA (0.48) SMN1; SMN2MAPTLMNANPSR1POLB
SCHEMBL528856 0.85 MAPT (0.49) SMN1; SMN2MAPTLMNANPSR1NPC1

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