SCHEMBL9426459

SCHEMBL9426459

C[C@H](N)CN[C@@H](C)CN[C@@H](C)CN

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL187646 1.00 ALDH1A1 (0.43) ALDH1A1
SCHEMBL870312 1.00 ALDH1A1 (0.43) ALDH1A1
SCHEMBL9426456 1.00 ALDH1A1 (0.43) ALDH1A1
SCHEMBL869456 1.00 ALDH1A1 (0.43) ALDH1A1
SCHEMBL187701 1.00 ALDH1A1 (0.43) ALDH1A1
SCHEMBL869868 1.00 ALDH1A1 (0.43) ALDH1A1
SCHEMBL869105 1.00 ALDH1A1 (0.43) ALDH1A1
SCHEMBL43460 1.00 ALDH1A1 (0.43) ALDH1A1
SCHEMBL19934655 0.95
Ammonia Solution, Strong SCHEMBL10763153 0.92 ALDH1A1 (0.45) 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-0577753-A1 BIS-NAPHTHALIMIDES CONTAINING AMINO-ACID DERIVED LINKERS AS ANTICANCER AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-01-12 EP disclosed
WO-1992017453-A1 BIS-NAPHTHALIMIDES CONTAINING AMINO-ACID DERIVED LINKERS AS ANTICANCER AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-10-15 WO disclosed