SCHEMBL6526499

SCHEMBL6526499

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1c[c]c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
PPARD Q03181 12/20 0.42
PPARA Q07869 11/20 0.42
PPARG P37231 8/20 0.42
MAPT P10636 1/20 0.42
FFAR1 O14842 7/20 0.41

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
SCHEMBL5138333 0.76 HTR6 (0.45) ALDH1A1GAAMAPT
SCHEMBL6500263 0.76 FFAR1 (0.45) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL6500269 0.75 FFAR1 (0.44) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL6489153 0.73 PPARD (0.53) ALDH1A1PPARDPPARAPPARGFFAR1
SCHEMBL11926060 0.72 NPC1 (0.56) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL6502357 0.72 FFAR1 (0.48) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL5657706 0.72 PPARD (0.55) PPARDPPARAPPARGMAPTFFAR1
SCHEMBL1553917 0.71 NPC1 (0.54) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL3822273 0.71 NPC1 (0.58) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL5015456 0.71 NPC1 (0.54) NPC1ALDH1A1GAAPPARDPPARA

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-2005060958-A1 (5- (2-PHENYL)-THIAZOL-5-YLMETHOXY)-INDOL-1-YL) -ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE HUMAN PPAR-DELTA RECEPTOR FOR THE TREATMENT OF METABOLIC DISORDERS SUCH AS TYPE 2 DIABETES KALYPSYS, INC. (US) 2005-07-07 WO disclosed