SCHEMBL3401247

SCHEMBL3401247

Cc1nc(-c2ccccc2C(F)(F)F)sc1C(=O)NCCCN1CCCCC1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 1/20 0.47
THRB P10828 1/20 0.47
CHRM4 P08173 1/20 0.46
CACNA1G O43497 2/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RCE1 Q9Y256 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL3399610 0.88 CACNA1G (0.52) PPARDPPARARAB9ANPC1KDM4E
SCHEMBL3404913 0.87 PPARD (0.53) PPARDPPARACHRM4KMT2ASMN1; SMN2
SCHEMBL3402446 0.86 RAB9A (0.47) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL3401802 0.85 CHRM4 (0.59) PPARDPPARARAB9ANPC1ALDH1A1
SCHEMBL13310366 0.85 CYP2D6 (0.47) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL3405436 0.85 CACNA1G (0.49) PPARDPPARARAB9ANPC1ALDH1A1
SCHEMBL3405620 0.85 CHRM4 (0.47) RAB9ANPC1THRBCHRM4CACNA1G
SCHEMBL3404056 0.84 PPARD (0.52) PPARDPPARACHRM4KMT2ASMN1; SMN2
SCHEMBL3405042 0.84 CHRM4 (0.49) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL3399980 0.83 RAB9A (0.49) RAB9ANPC1KDM4EALDH1A1HSD17B10

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
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed