SCHEMBL9602945

SCHEMBL9602945

FC(F)(F)Oc1ccccc1.c1cc2ccc1-2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.47
AURKA O14965 1/20 0.47
TPX2 Q9ULW0 1/20 0.47
KIF11 P52732 3/20 0.47
SCN5A Q14524 8/20 0.46
ACP1 P24666 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
NISCH Q9Y2I1 1/20 0.43
GRIN2B Q13224 3/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
IGF2BP2 Q9Y6M1 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
SCHEMBL18293362 0.93 KIF11 (0.50) SERPINE1AURKATPX2KIF11SCN5A
SCHEMBL306823 0.93 KIF11 (0.50) SERPINE1AURKATPX2KIF11SCN5A
SCHEMBL168125 0.92 KIF11 (0.47) KIF11GRIN2B
SCHEMBL27862141 0.92 KIF11 (0.47) KIF11GRIN2B
SCHEMBL28910204 0.91 SERPINE1 (0.49) SERPINE1AURKATPX2KIF11SCN5A
SCHEMBL4036809 0.90 KIF11 (0.46) KIF11GRIN2B
SCHEMBL29087324 0.90 KIF11 (0.46) KIF11GRIN2B
Fluoride SCHEMBL28371495 0.90 KIF11 (0.46) KIF11GRIN2B
Water SCHEMBL27610464 0.90 KIF11 (0.46) KIF11GRIN2B
Ammonia Solution, Strong SCHEMBL2163079 0.90 KIF11 (0.46) KIF11GRIN2B

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
EP-0334911-B1 SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS MERCK PATENT GmbH (DE) 1993-02-10 EP claimed