SCHEMBL3837013

SCHEMBL3837013

Cc1nc(-c2cncc([As](C)CCc3ccccn3)n2)sc1C(=O)NCc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.56
PPARA Q07869 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 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
SCHEMBL3839363 0.86 SCD (0.61) SCDPPARALMNAMAPT
SCHEMBL3042841 0.83 SCD (0.55) SCDPPARASMN1; SMN2RAB9AKDM4E
SCHEMBL3047634 0.79 SCD (0.75) SCDPPARALMNAMAPT
SCHEMBL3044261 0.78 SCD (0.68) SCDPPARALMNAMAPT
SCHEMBL3045493 0.76 SCD (0.62) SCDPPARALMNAMAPT
SCHEMBL3035795 0.76 SCD (0.65) SCDPPARALMNAMAPT
SCHEMBL15484693 0.75 SCD (0.64) SCDPPARALMNAMAPT
SCHEMBL3049398 0.74 SCD (0.59) SCDPPARALMNAMAPT
SCHEMBL3044560 0.73 SCD (0.64) SCDPPARALMNAMAPT
SCHEMBL3045700 0.73 SCD (0.84) SCDSMN1; SMN2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086970-A2 2-(PYRAZIN-2-YL)-THIAZOLE AND 2-(1H PYRAZOL-3-YL)-THIAZOLE DERIVATIVES AS WELL AS RELATED COMPOUNDS AS STEAROYL-COA DESATURASE (SCD) INHIBITORS FOR THE TREATMENT OF METABOLIC, CARDIOVASCULAR AND OTHER DISORDERS Novartis AG (CH) 2009-08-12 EP disclosed
WO-2008024390-A2 2- (PYRAZIN-2-YL) -THIAZOLE AND 2- (1H-PYRAZ0L-3-YL) -THIAZOLE DERIVATIVES AS WELL AS RELATED COMPOUNDS AS STEAROYL-COA DESATURASE (SCD) INHIBITORS FOR THE TREATMENT OF METABOLIC, CARDIOVASCULAR AND OTHER DISORDERS NOVARTIS AG (CH) 2008-02-28 WO disclosed