SCHEMBL5154782

SCHEMBL5154782

Cn1cc[n+](CCCNc2ccc(N)cc2)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.34
PRSS1 P07477 7/20 0.31
F2 P00734 2/20 0.30
PRSS2 P07478 2/20 0.30
PRSS3 P35030 2/20 0.30
TMPRSS6 Q8IU80 2/20 0.30
ST14 Q9Y5Y6 2/20 0.30
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30

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
Hydrochloric Acid SCHEMBL7618823 0.97 APP (0.33) APPPRSS1
SCHEMBL2923345 0.91 APP (0.36) APPMAPT
Bromide SCHEMBL6267968 0.90 APP (0.35) APPMAPT
Hydrochloric Acid SCHEMBL7257152 0.89 APP (0.34) APPMAPT
SCHEMBL14497414 0.75 MAPT (0.35) MAPTALDH1A1
Hydrochloric Acid SCHEMBL6268263 0.72 GFER (0.34)
SCHEMBL8738994 0.72
SCHEMBL6115257 0.72 BCHE (0.33)
SCHEMBL2926247 0.71 SMN1; SMN2 (0.45) APPPRSS1F2PRSS2PRSS3
Hydrochloric Acid SCHEMBL6268264 0.71 MEN1 (0.33) ALDH1A1

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-1056435-B9 DYEING METHOD USING AN HETEROCYCLIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVES OREAL (FR) 2007-01-10 EP disclosed
EP-1056435-B1 DYEING METHOD USING AN HETEROCYCLIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVES OREAL (FR) 2006-06-28 EP disclosed