SCHEMBL12973545

SCHEMBL12973545

Nc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.81
PTGS1 P23219 5/20 0.75
MAPT P10636 3/20 0.70
RAB9A P51151 3/20 0.70
CA12 O43570 2/20 0.66
CA1 P00915 2/20 0.66
CA2 P00918 2/20 0.66
CA9 Q16790 2/20 0.66
BAZ1A Q9NRL2 1/20 0.59
MTOR P42345 1/20 0.59
KIF11 P52732 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HTT P42858 1/20 0.58
TGM2 P21980 1/20 0.54
NPC1 O15118 1/20 0.54
RORC P51449 1/20 0.54

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
SCHEMBL28729179 0.90 EPHX2 (1.00) EPHX2MAPTRAB9ACA12CA1
SCHEMBL11003408 0.90 EPHX2 (1.00) EPHX2MAPTRAB9ACA12CA1
SCHEMBL678654 0.86 PTGS1 (1.00) EPHX2PTGS1MAPTRAB9ACA12
SCHEMBL8772924 0.84 RAB9A (1.00) EPHX2PTGS1MAPTRAB9ACA12
SCHEMBL29572527 0.84 KMT2A (0.77) PTGS1MAPTRAB9ACA12CA1
SCHEMBL16246935 0.84 KMT2A (0.77) PTGS1MAPTRAB9ACA12CA1
SCHEMBL30969167 0.84 PTGS1 (0.74) EPHX2PTGS1MAPTRAB9ACA12
SCHEMBL7524681 0.83 EPHX2 (0.78) EPHX2PTGS1MAPTRAB9ACA12
SCHEMBL18031166 0.83 EPHX2 (0.85) EPHX2MAPTRAB9ACA12CA1
SCHEMBL4548071 0.83 EPHX2 (0.85) EPHX2MAPTRAB9ACA12CA1

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-2010144522-A1 UREIDOPHENYL SUBSTITUTED TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS ABRAXIS BIOSCIENCE, LLC (US) 2010-12-16 WO disclosed