SCHEMBL7429971

SCHEMBL7429971

COC(=O)c1ccc(Oc2cncc(Cl)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL7425499 0.83 HCAR2 (0.56)
SCHEMBL15670317 0.81 CA1 (0.62) ALDH1A1
SCHEMBL30415838 0.79 MKNK1 (0.65)
SCHEMBL21392047 0.79 MKNK1 (0.65)
SCHEMBL27534852 0.79 NAAA (0.52) ALDH1A1
SCHEMBL69218 0.79 CA1 (0.75) ALDH1A1
SCHEMBL8177742 0.79 PPARG (0.57)
SCHEMBL693288 0.78 RAB9A (0.60)
SCHEMBL1436200 0.77 ATM (0.65) ALDH1A1
SCHEMBL20176625 0.77 ATM (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000048993-A1 ARYLAMINOALKYLAMIDES NOVARTIS AG (CH) 2000-08-24 WO disclosed