SCHEMBL3842367

SCHEMBL3842367

CCc1nc(-c2cncc(N(C)CCOc3ccc(OC)cc3)n2)sc1C(=O)NCc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
PPARA Q07869 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SCD O00767 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
CYP2C19 P33261 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ACHE P22303 1/20 0.38
SLC6A2 P23975 1/20 0.38
KCNH2 Q12809 1/20 0.38
FAAH O00519 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3035213 0.91 PPARA (0.50) GAAPPARAPOLBMAPTTHRB
SCHEMBL3039123 0.84 SCD (0.58) PPARASCD
SCHEMBL13137802 0.81 SCD (0.55) GAAPPARAMAPTSCDLMNA
SCHEMBL3038900 0.81 PPARA (0.53) PPARAPOLBMAPTTHRBRXFP1
SCHEMBL3045647 0.77 TARBP2 (0.44) GAAPPARAPOLBSCDKMT2A
SCHEMBL3035817 0.76 LMNA (0.47) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL3044135 0.75 SCD (0.57) PPARAMAPTSCDLMNA
SCHEMBL3048479 0.74 SCD (0.53) PPARAMAPTSCDKMT2AMEN1
SCHEMBL3041747 0.73 PPARA (0.50) PPARAMAPTSCDLMNAALDH1A1
SCHEMBL3040893 0.73 SCD (0.60) PPARAMAPTSCDLMNASMN1; SMN2

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