SCHEMBL164814

SCHEMBL164814

CC(CC(C)(C)C)NC(=O)c1c(F)cccc1F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.48
ICAM1 P05362 3/20 0.48
ITGAL P20701 3/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TRPA1 O75762 1/20 0.42
PSMB1 P20618 1/20 0.42
PSMB5 P28074 1/20 0.42
PSMB2 P49721 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL19541957 0.81 ITGB2 (0.50) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL19540526 0.79 ALDH1A1 (0.60) ITGB2ICAM1ITGALPOLBPKM
SCHEMBL7135256 0.78 ITGB2 (0.53) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL9629888 0.76 TRPA1 (0.48) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL8402596 0.73 SMN1; SMN2 (0.59) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL8402593 0.73 SMN1; SMN2 (0.59) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL24567560 0.72 ITGB2 (0.48) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL19542229 0.72 ITGB2 (0.55) ITGB2ICAM1ITGALPOLBRAB9A
SCHEMBL19540891 0.72 ALDH1A1 (0.51) POLBSMN1; SMN2ALDH1A1TRPA1NPC1
SCHEMBL19541944 0.71 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