SCHEMBL3785444

SCHEMBL3785444

O=C(NCc1cccnc1-c1ccc(F)cc1)c1ccc2n[nH]c(=O)n2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.44
PDPK1 O15530 1/20 0.41
AKT1 P31749 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 2/20 0.38
MAPK3 P27361 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
LIPG Q9Y5X9 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
HTR2C P28335 2/20 0.36
MCHR1 Q99705 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL3795447 0.85 AKT1 (0.43) NAMPTPDPK1AKT1MEN1KMT2A
SCHEMBL3794645 0.80 NAMPT (0.42) NAMPTMEN1KMT2ALMNAMAPT
SCHEMBL3789293 0.80 NAMPT (0.42) NAMPTMEN1KMT2ALMNAMAPT
SCHEMBL3797563 0.78 NAMPT (0.43) NAMPTMEN1KMT2ALMNAMAPT
SCHEMBL3789575 0.77 ALDH1A1 (0.40) NAMPTMEN1KMT2ALMNAMAPT
SCHEMBL3790038 0.75 EPHX2 (0.52)
SCHEMBL3793750 0.73 ROCK2 (0.57) NAMPTKMT2AMAPK1LMNAMAPT
SCHEMBL13075698 0.70 EPHX2 (0.45) KMT2AMAPT
SCHEMBL3790192 0.68 SCN5A (0.43) PDPK1ABL1
SCHEMBL13076725 0.68 GRIN1 (0.50) NAMPT

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