SCHEMBL873941

SCHEMBL873941

Nc1ccc(-c2nc(C(F)(F)F)c(C(=O)O)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.48
KDM4E B2RXH2 7/20 0.48
NPC1 O15118 6/20 0.48
GAA P10253 6/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPT P10636 5/20 0.48
POLB P06746 4/20 0.48
HPGD P15428 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
NFKB1 P19838 2/20 0.48
GFER P55789 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
MITF O75030 1/20 0.48
RECQL P46063 1/20 0.48
PAX8 Q06710 1/20 0.48
KLF5 Q13887 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
PPARA Q07869 2/20 0.43
PPARG P37231 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
SCHEMBL874117 0.89 RAB9A (0.48) RAB9AKDM4ENPC1GAAALDH1A1
SCHEMBL16703796 0.87 SMN1; SMN2 (0.49) RAB9AKDM4ENPC1GAAALDH1A1
SCHEMBL8341574 0.87 SMN1; SMN2 (0.64) RAB9AKDM4ENPC1GAAALDH1A1
SCHEMBL8338941 0.87 ALDH1A1 (0.54) RAB9AKDM4ENPC1GAAALDH1A1
SCHEMBL4497703 0.86 SMN1; SMN2 (0.59) RAB9AKDM4ENPC1GAAALDH1A1
SCHEMBL24303680 0.85 RAB9A (0.48) RAB9AKDM4ENPC1GAAALDH1A1
SCHEMBL874665 0.83 GAA (0.52) RAB9AKDM4ENPC1GAAALDH1A1
SCHEMBL8338965 0.82 SMN1; SMN2 (0.45) RAB9AKDM4ENPC1GAAALDH1A1
SCHEMBL10064831 0.80 MAPT (0.62) KDM4EALDH1A1MAPTHPGDCDC7
SCHEMBL24303241 0.80 NPC1 (0.52) KDM4ENPC1GAAALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012038905-A1 THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed
WO-2012038905-A1 THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed
WO-2012038904-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed
WO-2012038904-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed