SCHEMBL20028233

SCHEMBL20028233

CC(Br)[C@@H](C)NNc1ncccn1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL13713401 0.78 ALDH1A1 (0.39) ALDH1A1
SCHEMBL13071281 0.69
SCHEMBL9392224 0.68 ALDH1A1 (0.41) ALDH1A1
Hydrochloric Acid SCHEMBL20523429 0.67 ALDH1A1 (0.42) ALDH1A1
SCHEMBL10154754 0.64 IDH1 (0.41) ALDH1A1
SCHEMBL146979 0.64 CYP2C19 (0.39) ALDH1A1
SCHEMBL13736558 0.64 IDH1 (0.41) ALDH1A1
Isaxonine SCHEMBL1270289 0.62 KCNH3 (0.43) ALDH1A1
SCHEMBL19554645 0.62 LMNA (0.50) ALDH1A1
SCHEMBL3949863 0.59

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
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO disclosed