SCHEMBL16239759

SCHEMBL16239759

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.51
▸ MRGPRX4 Q96LA9 4/20 0.50
▸ RXRA P19793 2/20 0.48
▸ RXRB P28702 2/20 0.48
▸ RXRG P48443 2/20 0.48
▸ PTGER1 P34995 3/20 0.46
▸ CYP2C9 P11712 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ FPR2 P25090 1/20 0.45
▸ SCN9A Q15858 1/20 0.45
▸ PTGDR2 Q9Y5Y4 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SRPK3 Q9UPE1 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ RAB9A P51151 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
SCHEMBL16240249 0.89 RXRA (0.63) LRRK2MRGPRX4RXRARXRBRXRG
SCHEMBL16240247 0.86 MRGPRX4 (0.55) LRRK2MRGPRX4RXRARXRBRXRG
SCHEMBL1104996 0.82 LRRK2 (0.61) LRRK2MRGPRX4RXRARXRBRXRG
SCHEMBL1101410 0.78 LRRK2 (0.53) LRRK2MRGPRX4RXRARXRBRXRG
SCHEMBL1104997 0.76 SCN9A (0.48) CYP2C9CYP3A4FPR2SCN9APTGDR2
SCHEMBL1138889 0.76 MRGPRX4 (0.55) MRGPRX4RXRARXRBRXRGCYP2C9
SCHEMBL1753432 0.75 PTGDR2 (0.74) PTGDR2
SCHEMBL5099944 0.74 PTGER1 (0.52) LRRK2MRGPRX4RXRARXRBRXRG
SCHEMBL509652 0.72 MAOB (0.74) MRGPRX4RXRARXRBMAPTSMN1; SMN2
SCHEMBL6709526 0.72 MAOB (0.74) MRGPRX4RXRARXRBMAPTSMN1; SMN2

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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