SCHEMBL22912689

SCHEMBL22912689

Cc1ccc(OCc2cc(F)c(C(=O)NSC3CC3)cc2C2CC2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 14/20 0.50
▸ SCN5A Q14524 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ SCN3A Q9NY46 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL19429995 0.83 SCN9A (0.67) SCN9AKMT2AESR1TP53POLB
SCHEMBL19411411 0.83 SCN9A (0.57) SCN9ASCN5A
SCHEMBL19411386 0.82 SCN9A (0.49) SCN9AKMT2AESR1TP53POLB
SCHEMBL22912716 0.81 SCN9A (0.47) SCN9ASCN5ASCN3A
SCHEMBL19427304 0.79 SCN9A (0.48) SCN9ASCN5ASCN3A
SCHEMBL19430740 0.77 SCN9A (0.68) SCN9ASCN5A
SCHEMBL23677150 0.77 SCN9A (0.46) SCN9AKMT2AESR1TP53POLB
SCHEMBL15543319 0.70 SCN9A (0.66) SCN9ASCN5A
SCHEMBL16240266 0.70 SCN9A (0.74) SCN9ASCN5A
SCHEMBL15599062 0.69 SCN9A (0.60) SCN9ASCN5A

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-3436432-B1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH INC (US) 2021-01-27 — — EP disclosed
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