SCHEMBL16240249

SCHEMBL16240249

O=C(O)c1ccc(COc2ccc(C(F)(F)F)cc2-c2ccnnc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 5/20 0.63
▸ RXRB P28702 5/20 0.63
▸ RXRG P48443 5/20 0.63
▸ PTGER1 P34995 4/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ LRRK2 Q5S007 1/20 0.53
▸ MRGPRX4 Q96LA9 8/20 0.49
▸ PTGDR2 Q9Y5Y4 1/20 0.47
▸ NR4A2 P43354 1/20 0.46

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
SCHEMBL16239759 0.89 LRRK2 (0.51) RXRARXRBRXRGPTGER1CYP2C9
SCHEMBL1104996 0.88 LRRK2 (0.61) RXRARXRBRXRGPTGER1CYP2C9
SCHEMBL16240247 0.85 MRGPRX4 (0.55) RXRARXRBRXRGPTGER1CYP2C9
SCHEMBL1101410 0.80 LRRK2 (0.53) RXRARXRBRXRGPTGER1CYP2C9
SCHEMBL19951274 0.78 RXRA (0.76) RXRARXRBRXRGMRGPRX4NR4A2
SCHEMBL1690401 0.74 PTGDR2 (0.78) RXRARXRBRXRGPTGDR2
SCHEMBL1104997 0.73 SCN9A (0.48) CYP2C9PTGDR2
SCHEMBL4426012 0.73 RXRA (0.68) RXRARXRBRXRGPTGER1MRGPRX4
SCHEMBL5102994 0.72 PTGER1 (0.66) RXRARXRBRXRGPTGER1CYP2C9
SCHEMBL4923018 0.72 PTGER1 (0.96) RXRARXRBRXRGPTGER1CYP2C9

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-2593428-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2014-11-19 — — EP disclosed
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