SCHEMBL9402270

SCHEMBL9402270

CCCCc1nnc(SCc2ccccc2)n1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 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
SCHEMBL9402388 0.92 ALDH1A1 (0.56) ALDH1A1MAPT
SCHEMBL7412061 0.91 ALDH1A1 (0.55) ALDH1A1
SCHEMBL9402353 0.88 AGTR1 (0.61)
SCHEMBL9402406 0.86 ALDH1A1 (0.49) ALDH1A1
SCHEMBL9402197 0.86 ALDH1A1 (0.51) ALDH1A1
SCHEMBL7407139 0.85 ALDH1A1 (0.51) ALDH1A1MAPT
SCHEMBL7407531 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPT
SCHEMBL9402501 0.84 ALDH1A1 (0.47) ALDH1A1
SCHEMBL7419878 0.84 ALDH1A1 (0.49) ALDH1A1MAPT
SCHEMBL9402249 0.84 AGTR1 (0.51)

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