SCHEMBL3463902

SCHEMBL3463902

FC(F)(F)Oc1ccc2sc(Cl)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SCN4A P35499 2/20 0.51
SCN9A Q15858 2/20 0.51
GMNN O75496 1/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
GAA P10253 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51
NFKB1 P19838 1/20 0.51
SLC6A2 P23975 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
SLC6A3 Q01959 1/20 0.51

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
SCHEMBL1748078 0.87 NPC1 (0.68) NPC1RAB9ASCN4ASCN9AGMNN
SCHEMBL31132377 0.81 RAB9A (0.77) NPC1RAB9ASCN4ASCN9AGMNN
SCHEMBL21536795 0.81 POLB (0.52) NPC1RAB9ASCN4ASCN9AGMNN
SCHEMBL2749069 0.81 NPC1 (0.51) NPC1RAB9ASCN4ASCN9AGMNN
SCHEMBL480862 0.81 RAB9A (0.77) NPC1RAB9ASCN4ASCN9AGMNN
SCHEMBL9184354 0.81 NPC1 (0.51) NPC1RAB9ASCN4ASCN9AGMNN
SCHEMBL779852 0.78 NPC1 (0.54) NPC1RAB9ALMNATP53CYP1A2
SCHEMBL3639457 0.76 PPARA (0.48) NPC1RAB9ASCN4ASCN9AGMNN
SCHEMBL15516907 0.75 NPC1 (0.46) NPC1RAB9ASCN4ASCN9AGMNN
SCHEMBL777758 0.75 DYRK1A (0.52) SCN4ASMN1; SMN2KMT2ADYRK1AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010010435-A2 FUSED OXAZOLE AND THIAZOLE DERIVATIVES AS TRPMS MODULATORS GLENMARK PHARMACEUTICAL S.A. (CH) 2010-01-28 WO disclosed
EP-0060426-B1 N-(2,2,2-TRIFLUOROETHYL)-N-ALKYL-AZOLYLOXYACETIC-ACID AMIDES, THEIR PREPARATION AND USE AS HERBICIDES AND INTERMEDIATES FOR THEIR PREPARATION BAYER AG (DE) 1986-04-23 EP disclosed
US-4465504-A Herbicidally active novel N-(2,2,2-trifluoroethyl)-N-alkyl-azolyloxyacetic acid amides and intermediates therefor BAYER AKTIENGESELLSCHAFT (DE) 1984-08-14 US disclosed
US-4455428-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1984-06-19 US disclosed
EP-0029171-B1 AZOLYLOXY-CARBOXYLIC ACID N-OXY-AMIDES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE, HERBICIDES CONTAINING THEM AND THEIR PREPARATION BAYER AG (DE) 1984-03-21 EP disclosed
US-4408055-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-10-04 US disclosed
EP-0081730-A1 Process for the preparation of hetaryloxyacetamides BAYER AG (DE) 1983-06-22 EP disclosed
EP-0060426-A2 N-(2,2,2-trifluoroethyl)-N-alkyl-azolyloxyacetic-acid amides, their preparation and use as herbicides and intermediates for their preparation BAYER AG (DE) 1982-09-22 EP disclosed