SCHEMBL28061563

SCHEMBL28061563

FC(F)(F)c1ccc(-c2ccc3c(c2)C=NCC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.46
TDP2 O95551 1/20 0.44
CA9 Q16790 3/20 0.38
CA12 O43570 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
ASIC3 Q9UHC3 1/20 0.38
NISCH Q9Y2I1 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL28179870 0.87 PARP1 (0.38) KIF11TDP2ASIC3
SCHEMBL28243392 0.83 FEN1 (0.44) TDP2CYP11B1CYP11B2
SCHEMBL28243419 0.81 CA12 (0.42) KIF11CA9CA12NISCHHRH3
SCHEMBL29964358 0.77 NOTUM (0.36) KIF11TDP2
SCHEMBL28293217 0.77 NOTUM (0.36) KIF11TDP2
SCHEMBL17026632 0.75 CA9 (0.45) KIF11CA9CA12NISCH
SCHEMBL5009232 0.73 ALDH1A1 (0.34) NISCH
SCHEMBL1479810 0.72 TDP2 (0.68) KIF11TDP2CHRNB2CHRNA4ASIC3
SCHEMBL30752216 0.72 HRH4 (0.41) ASIC3HRH3
SCHEMBL29458622 0.71 ADRA2A (0.39)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105693645-B Condensed heterocyclic compouds as ion channel modulators 吉利德科学公司 2018-10-09 CN disclosed
CN-105693645-A FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS 吉利德科学公司 2016-06-22 CN disclosed
CN-103649056-B Fused heterocyclic compounds as modulators of ion channels GILEAD SCIENCES, INC. (US) 2016-04-27 CN disclosed