SCHEMBL162522

SCHEMBL162522

C[C@H](NC(=O)c1c(F)cccc1F)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
HTT P42858 1/20 0.44
NOD2 Q9HC29 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
IDO1 P14902 1/20 0.44
NAMPT P43490 2/20 0.43
TRPA1 O75762 1/20 0.43
PSMB1 P20618 1/20 0.43
PSMB5 P28074 1/20 0.43
PSMB2 P49721 1/20 0.43
TAS1R3 Q7RTX0 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
SCHEMBL163483 1.00 EPHX2 (0.53) EPHX2ITGB2ICAM1ITGALMEN1
SCHEMBL162523 1.00 EPHX2 (0.53) EPHX2ITGB2ICAM1ITGALMEN1
SCHEMBL7135256 0.79 ITGB2 (0.53) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL8402593 0.75 SMN1; SMN2 (0.59) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL8402596 0.75 SMN1; SMN2 (0.59) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL21693631 0.74 NAMPT (0.46) EPHX2MEN1KMT2ARAB9ANPC1
SCHEMBL24567560 0.73 ITGB2 (0.48) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL9629888 0.73 TRPA1 (0.48) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL8372493 0.72 CES2 (0.61) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL19541944 0.72 ITGB2 (0.47) ITGB2ICAM1ITGALMEN1KMT2A

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-2012029968-A1 BENZAMIDE DERIVATIVE OR ITS SALT, AND INSECTICIDE, MITICIDE, NEMATICIDE OR SOIL PESTICIDE CONTAINING IT ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-03-08 WO disclosed