SCHEMBL4553629

SCHEMBL4553629

CN(C)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.72
PAX8 Q06710 1/20 0.66

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
SCHEMBL10831591 0.83 ALDH1A1 (0.52) ALDH1A1
SCHEMBL30791409 0.82 ALDH1A1 (0.63) ALDH1A1PAX8
SCHEMBL22204569 0.82 ALDH1A1 (0.63) ALDH1A1PAX8
SCHEMBL1923879 0.81 NR4A2 (0.59) ALDH1A1
SCHEMBL10832100 0.81 ALDH1A1 (0.50) ALDH1A1PAX8
SCHEMBL28380663 0.80 ALDH1A1 (0.61) ALDH1A1PAX8
SCHEMBL10831708 0.79 PAX8 (0.53) ALDH1A1PAX8
SCHEMBL10832228 0.79 ALDH1A1 (0.48) ALDH1A1
SCHEMBL31252538 0.79 ALDH1A1 (0.60) ALDH1A1PAX8
SCHEMBL11772616 0.79 ALDH1A1 (0.60) ALDH1A1PAX8

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-2097413-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 EP disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 WO disclosed