SCHEMBL3794645

SCHEMBL3794645

O=C(NCc1cccnc1-c1ccc(F)cc1)c1ccc2nn(CC(F)F)c(=O)n2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.42
TGFBR1 P36897 6/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
TGFBR2 P37173 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
GPR139 Q6DWJ6 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
DGAT2 Q96PD7 1/20 0.35

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
SCHEMBL3789293 0.89 NAMPT (0.42) NAMPTMEN1KMT2ALMNAMAPT
SCHEMBL3797563 0.87 NAMPT (0.43) NAMPTMEN1KMT2ALMNAMAPT
SCHEMBL3789575 0.86 ALDH1A1 (0.40) NAMPTMEN1KMT2ALMNAMAPT
SCHEMBL13257863 0.86 AKT1 (0.37) NAMPTTGFBR1MEN1KMT2AGPR139
SCHEMBL3785444 0.80 NAMPT (0.44) NAMPTMEN1KMT2ALMNAMAPT
SCHEMBL3788636 0.78 EPHX2 (0.48) GPR139HDAC1HDAC6
SCHEMBL13258013 0.76 DRD2 (0.38) NAMPTMEN1KMT2ASMN1; SMN2HDAC1
SCHEMBL13258147 0.73 LMNA (0.41) NAMPTMEN1KMT2ALMNAHTT
SCHEMBL3790162 0.70 EPHX2 (0.51) GPR139
SCHEMBL3788746 0.70 EPHX2 (0.45) NAMPTGPR139

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
WO-2010096722-A1 3-OXO-2, 3-DIHYDRO- [1,2, 4] TRIAZOLO [4, 3-A]PYRIDINES AS SOLUBLE EPOXIDE HYDROLASE (SEH) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 WO disclosed
WO-2010096722-A1 3-OXO-2, 3-DIHYDRO- [1,2, 4] TRIAZOLO [4, 3-A]PYRIDINES AS SOLUBLE EPOXIDE HYDROLASE (SEH) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 WO disclosed