SCHEMBL8755227

SCHEMBL8755227

[N-]=[N+]=C1C=CCC1=Nc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL8679870 0.71 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL9615422 0.69 LMNA (0.33) —
SCHEMBL7866209 0.69 CYP2D6 (0.34) CYP2D6CYP2C19
SCHEMBL1665654 0.64 CA1 (0.33) CYP2D6CYP2C19
SCHEMBL18786507 0.64 ALDH1A1 (0.45) CYP2C19
SCHEMBL4799168 0.64 KMT2A (0.34) —
SCHEMBL11099215 0.61 LMNA (0.33) —
SCHEMBL18805368 0.61 ALDH1A1 (0.55) —
SCHEMBL2204413 0.61 ALDH1A1 (0.55) —
SCHEMBL8773370 0.59 FURIN (0.43) CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0766553-A1 INTRAOCULAR IRRIGATING SOLUTION CONTAINING AGENT FOR CONTROLLING IOP ALCON LABORATORIES, INC. (US) 1997-04-09 — — EP claimed
WO-1996000055-A1 INTRAOCULAR IRRIGATING SOLUTION CONTAINING AGENT FOR CONTROLLING IOP ALCON LABORATORIES, INC. (US) 1996-01-04 — — WO claimed
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