SCHEMBL3455045

SCHEMBL3455045

Cc1nc(-c2c(OCc3ccc(C(F)(F)F)o3)cc[nH]c2=O)sc1C(=O)NCc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 0.57
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3455595 0.92 SCD (0.47) SCDALDH1A1
SCHEMBL3454462 0.86 SCD (0.51) SCDPOLBLMNAMAPK1RAB9A
SCHEMBL3455523 0.85 SCD (0.54) SCDSMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL3454978 0.85 SCD (0.50) SCD
SCHEMBL3454191 0.83 RECQL (0.51) SCDALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL3455692 0.82 SCD (0.52) SCD
SCHEMBL3454212 0.82 SMN1; SMN2 (0.39) SCDSMN1; SMN2ALDH1A1POLBNPC1
SCHEMBL3454672 0.81 SCD (0.53) SCD
SCHEMBL3454078 0.80 LMNA (0.41) SMN1; SMN2ALDH1A1MAPTLMNANPC1
SCHEMBL3454226 0.79 PPARA (0.53) SCDALDH1A1NPC1

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-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO claimed