SCHEMBL9402501

SCHEMBL9402501

CCCCc1nnc(SCCO)n1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47

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
SCHEMBL7412061 0.85 ALDH1A1 (0.55) ALDH1A1
SCHEMBL9589089 0.84 ALDH1A1 (0.50) ALDH1A1
SCHEMBL9402388 0.84 ALDH1A1 (0.56) ALDH1A1
SCHEMBL9402270 0.84 ALDH1A1 (0.67) ALDH1A1
SCHEMBL9402397 0.84 ALDH1A1 (0.49) ALDH1A1
SCHEMBL9402360 0.84 KMT2A (0.55) ALDH1A1
SCHEMBL9402239 0.83 ALDH1A1 (0.46) ALDH1A1
SCHEMBL9402406 0.81 ALDH1A1 (0.49) ALDH1A1
SCHEMBL9767502 0.80 ALDH1A1 (0.52) ALDH1A1
SCHEMBL9402176 0.79 TLR7 (0.47) —

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-5336778-A Substituted triazoles as angiotensin II antagonists MERCK & CO., INC. (US) 1994-08-09 — — US disclosed
EP-0409332-A2 Substituted triazoles as angiotensin II antagonists MERCK & CO. INC. (US) 1991-01-23 — — EP disclosed
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