SCHEMBL527870

SCHEMBL527870

Cc1ccc(N(Cc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
GAA P10253 4/20 0.52
NPSR1 Q6W5P4 2/20 0.48
RAB9A P51151 1/20 0.48
ITGB1 P05556 2/20 0.48
ITGA4 P13612 2/20 0.48
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 2/20 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
SCHEMBL528301 0.87 MAPT (0.48) MAPTCYP3A4CYP2C9CYP2C19GAA
SCHEMBL528817 0.85 ALDH1A1 (0.48) MAPTCYP3A4CYP2C9CYP2C19GAA
SCHEMBL529730 0.84 MAPT (0.58) MAPTCYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL528658 0.84 ALDH1A1 (0.53) MAPTCYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL528754 0.83 MAPT (0.56) MAPTCYP2C19NPSR1RAB9AKDM4E
SCHEMBL528344 0.82 MAPT (0.56) MAPTNPSR1KDM4EALDH1A1LMNA
SCHEMBL528550 0.81 ALDH1A1 (0.55) MAPTGAANPSR1RAB9AKDM4E
SCHEMBL528386 0.81 MAPT (0.53) MAPTGAANPSR1RAB9AKDM4E
SCHEMBL528646 0.80 ALDH1A1 (0.59) MAPTGAANPSR1KDM4EALDH1A1
SCHEMBL528307 0.80 KMT2A (0.63) MAPTGAANPSR1KDM4EALDH1A1

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