SCHEMBL13665289

SCHEMBL13665289

O=C(Nc1ccc(-c2nnc3c(C(=O)NCCc4ccccc4)cccn23)cc1)Nc1ccccc1OC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ GBA1 P04062 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KIT P10721 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ DGAT1 O75907 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ROCK2 O75116 2/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ P2RY1 P47900 6/20 0.39
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ IDH1 O75874 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL12872589 0.91 NAMPT (0.42) NAMPTKITKDRFLT3DGAT1
SCHEMBL12872730 0.90 DGAT1 (0.44) NAMPTKITKDRFLT3DGAT1
SCHEMBL12872577 0.87 NAMPT (0.43) NAMPTMEN1KMT2AKITKDR
SCHEMBL1180414 0.86 KDR (0.47) NAMPTKITKDRFLT3DGAT1
SCHEMBL12872743 0.85 FPR2 (0.49) NAMPTKITKDRFLT3DGAT1
SCHEMBL12872582 0.84 FPR2 (0.42) NAMPTKITKDRFLT3DGAT1
SCHEMBL12872604 0.83 DGAT1 (0.49) NAMPTMEN1KMT2AKITKDR
SCHEMBL12872751 0.83 DGAT1 (0.50) NAMPTMEN1KMT2AKITKDR
SCHEMBL12872735 0.83 DGAT1 (0.50) NAMPTMEN1KMT2AKITKDR
SCHEMBL12872736 0.83 DGAT1 (0.46) NAMPTKITKDRFLT3DGAT1

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-2009126624-A1 TRIAZOLO COMPOUNDS USEFUL AS DGAT1 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-15 — — WO disclosed
Send feedback