SCHEMBL7943759

SCHEMBL7943759

COC(=O)c1c(Cl)ccc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c1CBr

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.33
ITGB1 P05556 2/20 0.32
ITGA4 P13612 2/20 0.32
ITGB7 P26010 2/20 0.32
GAA P10253 2/20 0.31
HSP90B1 P14625 3/20 0.31
HSP90AA1 P07900 1/20 0.31
TP53 P04637 1/20 0.31
ALDH1A1 P00352 2/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30

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
SCHEMBL7951726 0.85 NOTUM (0.35) NOTUMITGB1ITGA4ITGB7GAA
SCHEMBL20356773 0.76 MAPT (0.34) NOTUMGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL6697536 0.75 MEN1 (0.44) NOTUMGAATP53ALDH1A1HSD17B10
SCHEMBL7963360 0.74 GABRA1 (0.31) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30704867 0.74 GAA (0.36) GAAALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL27559360 0.74 GAA (0.36) GAAALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL8545055 0.72 LIPG (0.32)
SCHEMBL8540217 0.72 TP53 (0.30) TP53
SCHEMBL9039291 0.72 KDM4E (0.41)
SCHEMBL21491221 0.71 NOTUM (0.40) NOTUMALDH1A1ALOX15HSD17B10L3MBTL1

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
US-6277847-B1 PRE-EMERGENT AND POST-EMERGENT HERBICIDES SELECTIVE FOR PROTECTION OF CROPS SUCH AS WHEAT, CORN, SOYBEANS, COTTON FMC CORPORATION 2001-08-21 US disclosed