SCHEMBL16240247

SCHEMBL16240247

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 4/20 0.55
▸ LRRK2 Q5S007 2/20 0.50
▸ RXRA P19793 1/20 0.45
▸ RXRB P28702 1/20 0.45
▸ RXRG P48443 1/20 0.45
▸ SCN9A Q15858 9/20 0.44
▸ SCN5A Q14524 1/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ PTGER1 P34995 2/20 0.44
▸ CYP2C9 P11712 1/20 0.43
▸ SRPK3 Q9UPE1 1/20 0.42
▸ FPR2 P25090 1/20 0.42
▸ PTPN1 P18031 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
SCHEMBL16239759 0.86 LRRK2 (0.51) MRGPRX4LRRK2RXRARXRBRXRG
SCHEMBL16319636 0.85 SCN9A (0.48) SCN9ASCN5ACYP2C9FPR2
SCHEMBL16240249 0.85 RXRA (0.63) MRGPRX4LRRK2RXRARXRBRXRG
SCHEMBL1104996 0.79 LRRK2 (0.61) MRGPRX4LRRK2RXRARXRBRXRG
SCHEMBL16319247 0.75 SCN9A (0.59) SCN9ASCN5ACYP2C9
SCHEMBL1101410 0.75 LRRK2 (0.53) MRGPRX4LRRK2RXRARXRBRXRG
SCHEMBL10237075 0.71 MRGPRX4 (0.49) MRGPRX4RXRARXRBRXRGSCN9A
SCHEMBL1104997 0.71 SCN9A (0.48) SCN9ASCN5APTGDR2CYP2C9FPR2
SCHEMBL22481025 0.71 MRGPRX4 (1.00) MRGPRX4
SCHEMBL14900608 0.70 MRGPRX4 (0.53) MRGPRX4SCN9APTPN1

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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