SCHEMBL11266569

SCHEMBL11266569

CCOn1ccc(S)nc1=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL11582604 0.65
SCHEMBL1687064 0.64 SLC6A2 (0.31)
SCHEMBL7614894 0.63 PKM (0.51) ALDH1A1
SCHEMBL30233726 0.62 CDK4 (0.47) ALDH1A1
SCHEMBL4914160 0.59 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4951873 0.58 PRKCI (0.35) ALDH1A1
SCHEMBL27469859 0.58
SCHEMBL15863806 0.58 L3MBTL1 (0.32)
SCHEMBL27322756 0.58
SCHEMBL18568262 0.58

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
US-4348518-A Cephalosporins HOFFMANN-LA ROCHE INC. (US) 1982-09-07 US disclosed
US-4091211-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1978-05-23 US disclosed