SCHEMBL21780434

SCHEMBL21780434

FC(F)(F)CN1CCOc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2S1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.46
SCN5A Q14524 3/20 0.46
SCN1A P35498 1/20 0.46
SCN4A P35499 1/20 0.46
SCN9A Q15858 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
SCN8A Q9UQD0 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 1/20 0.38
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 1/20 0.37
CYP2D6 P10635 3/20 0.36
CYP2C9 P11712 3/20 0.36
GPR142 Q7Z601 3/20 0.36
CYP3A4 P08684 1/20 0.36
PRKDC P78527 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
SCHEMBL21780458 0.85 GPR142 (0.37) KCNH2SCN5ASCN1ASCN4ASCN9A
SCHEMBL21780452 0.77 KCNH2 (0.41) KCNH2SCN5ASCN1ASCN4ASCN9A
SCHEMBL14480838 0.74 KCNH2 (0.71) KCNH2SCN5ASCN1ASCN4ASCN9A
SCHEMBL22563269 0.73 KCNH2 (0.45) KCNH2SCN5ASCN1ASCN4ASCN9A
SCHEMBL14480844 0.73 KCNH2 (0.47) KCNH2SCN5ASCN1ASCN4ASCN9A
SCHEMBL21780485 0.72 CA12 (0.41) KCNH2SCN5ASCN1ASCN4ASCN9A
SCHEMBL21780438 0.71 SIGMAR1 (0.35) KCNH2CA12CA9ROCK2ROCK1
SCHEMBL14480907 0.68 KCNH2 (0.63) KCNH2SCN5ASCN1ASCN4ASCN9A
SCHEMBL18290467 0.67 KCNH2 (0.71) KCNH2SCN5ASCN1ASCN4ASCN9A
SCHEMBL14480602 0.67 SCN1A (0.76) KCNH2SCN5ASCN1ASCN4ASCN9A

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-3085696-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-03-04 EP disclosed