SCHEMBL29628993

SCHEMBL29628993

FC(F)(F)Oc1ccc(-c2cccc(-c3ccc(OC(F)(F)F)cc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 6/20 0.54
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
AURKA O14965 1/20 0.47
TPX2 Q9ULW0 1/20 0.47
KIF11 P52732 1/20 0.47
ABL1 P00519 2/20 0.47
ABCB1 P08183 1/20 0.47
BCR P11274 1/20 0.47
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
NISCH Q9Y2I1 1/20 0.43
F9 P00740 1/20 0.43
ESR1 P03372 1/20 0.43
SLC13A5 Q86YT5 1/20 0.43
SCN1A P35498 1/20 0.42
SCN2A Q99250 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
SCHEMBL30363971 0.87 ABL1 (0.54) SCN5AMEN1KMT2AALDH1A1CA12
SCHEMBL5544095 0.87 SCN5A (0.48) SCN5AMEN1KMT2AALDH1A1CA12
SCHEMBL1029424 0.87 HSD17B1 (0.61) SCN5AMEN1KMT2AAURKATPX2
SCHEMBL2655862 0.87 GRIN2B (0.51) SCN5ACA12CA9AURKATPX2
SCHEMBL5544105 0.87 SCN5A (0.48) SCN5AMEN1KMT2AALDH1A1CA12
SCHEMBL1241524 0.87 ABL1 (0.54) SCN5AMEN1KMT2AALDH1A1CA12
SCHEMBL306823 0.86 KIF11 (0.50) SCN5AAURKATPX2KIF11AKR1C2
SCHEMBL18293362 0.86 KIF11 (0.50) SCN5AAURKATPX2KIF11AKR1C2
SCHEMBL28910204 0.84 SERPINE1 (0.49) SCN5AAURKATPX2KIF11AKR1C2
SCHEMBL13099463 0.84 BCL2 (0.51) SCN5AMEN1KMT2AALDH1A1KIF11

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
CN-114621045-A Method for synthesizing polyaromatic hydrocarbon from aryl formaldehyde 长沙资材科技有限公司 2022-06-14 CN disclosed