SCHEMBL7969462

SCHEMBL7969462

O=[C]c1c(F)ccc(-c2cccc(Cl)n2)c1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 8/20 0.34
KMO O15229 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
IDH1 O75874 3/20 0.31
IDH2 P48735 2/20 0.31
NFE2L2 Q16236 1/20 0.31

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
SCHEMBL7971991 0.78 KMO (0.38) HSD17B14KMOCYP3A4TSHRIDH1
SCHEMBL7974715 0.75 CYP3A4 (0.34) CYP3A4TSHRPDCD1LG2CD274IDH1
SCHEMBL28115232 0.70 EGFR (0.40) HSD17B14KMOCYP3A4GAAL3MBTL1
SCHEMBL7968303 0.70 SCN9A (0.36) CYP3A4TSHRLMNAGAAIDH1
SCHEMBL7958260 0.69 GPBAR1 (0.36) CYP3A4TSHRGAAL3MBTL1NFE2L2
SCHEMBL19072698 0.69 TGFBR1 (0.35) HSD17B14PDCD1LG2CD274
SCHEMBL7971895 0.68 CYP3A4 (0.36) CYP3A4TSHRPDCD1LG2CD274L3MBTL1
SCHEMBL9712454 0.67 SLC2A1 (0.35)
SCHEMBL7971525 0.66 CYP3A4 (0.38) CYP3A4TSHRIDH1IDH2
SCHEMBL8994176 0.66 CES2 (0.37)

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-2001017965-A2 CYANOPIPERIDINES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-03-15 WO disclosed