SCHEMBL874117

SCHEMBL874117

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.48
KDM4E B2RXH2 7/20 0.48
GAA P10253 7/20 0.48
NPC1 O15118 7/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 5/20 0.46
POLB P06746 4/20 0.46
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
NFKB1 P19838 2/20 0.46
GFER P55789 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
MITF O75030 1/20 0.46
RECQL P46063 1/20 0.46
PAX8 Q06710 1/20 0.46
KLF5 Q13887 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
CDC7 O00311 2/20 0.40
DBF4 Q9UBU7 2/20 0.40

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
SCHEMBL873941 0.89 RAB9A (0.48) RAB9AKDM4EGAANPC1ALDH1A1
SCHEMBL882714 0.81 MAPT (0.57) KDM4EALDH1A1MAPTHPGDCDC7
SCHEMBL874730 0.80 NPC1 (0.39) RAB9AKDM4EGAANPC1ALDH1A1
SCHEMBL874785 0.78 SMN1; SMN2 (0.41) RAB9AKDM4EGAANPC1ALDH1A1
SCHEMBL874301 0.76 ALDH1A1 (0.40) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL16703796 0.75 SMN1; SMN2 (0.49) RAB9AKDM4EGAANPC1ALDH1A1
SCHEMBL8341574 0.75 SMN1; SMN2 (0.64) RAB9AKDM4EGAANPC1ALDH1A1
SCHEMBL8338941 0.75 ALDH1A1 (0.54) RAB9AKDM4EGAANPC1ALDH1A1
SCHEMBL14018508 0.75 RAB9A (0.77) RAB9AKDM4EGAANPC1ALDH1A1
SCHEMBL4497703 0.75 SMN1; SMN2 (0.59) RAB9AKDM4EGAANPC1ALDH1A1

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