SCHEMBL20652811

SCHEMBL20652811

COc1cc(OC(F)(F)F)ccc1Oc1cc(C(F)(F)F)cnc1C(=O)Nc1ccc(F)c(C(C)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 6/20 0.48
▸ SCN8A Q9UQD0 2/20 0.47
▸ ABL1 P00519 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 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
SCHEMBL20639029 0.93 SCN10A (0.53) SCN10ASCN8AABL1KDM4EMAPT
SCHEMBL20652810 0.93 SCN10A (0.47) SCN10ASCN8AABL1KMT2AATM
SCHEMBL20652578 0.84 SCN10A (0.51) SCN10ASCN8ASMN1; SMN2KMT2A
SCHEMBL20638807 0.82 SCN10A (0.53) SCN10AABL1KDM4EMAPTSMN1; SMN2
SCHEMBL22209164 0.81 SMN1; SMN2 (0.48) SCN10ASCN8AABL1KDM4EMAPT
SCHEMBL20638966 0.80 SMN1; SMN2 (0.48) SCN10ASCN8AKDM4EMAPTSMN1; SMN2
SCHEMBL20652572 0.79 SCN10A (0.49) SCN10ASCN8AABL1
SCHEMBL20638987 0.79 SCN10A (0.55) SCN10ASCN8A
SCHEMBL20639032 0.79 SMN1; SMN2 (0.47) SCN10ASCN8AKDM4EMAPTSMN1; SMN2
SCHEMBL20639312 0.79 SCN10A (0.57) SCN10ASCN8A

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-2019014352-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-01-17 — — WO disclosed
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