SCHEMBL9402287

SCHEMBL9402287

CCCCc1nnc(SCc2ccc(Cl)cc2)n1Cc1ccc(N)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.51
▸ HSP90AA1 P07900 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ HPGD P15428 1/20 0.50

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
SCHEMBL9402219 0.91 — —
SCHEMBL7409233 0.88 HTT (0.51) LMNAHSP90AA1HTTALDH1A1TP53
SCHEMBL9402388 0.84 ALDH1A1 (0.56) LMNAHTTALDH1A1TP53MAPT
SCHEMBL9402239 0.82 ALDH1A1 (0.46) ALDH1A1
SCHEMBL9402495 0.79 AGTR1 (0.51) —
SCHEMBL9402349 0.78 AGTR1 (0.65) —
SCHEMBL9402392 0.78 ALDH1A1 (0.52) ALDH1A1
SCHEMBL9402246 0.78 ALDH1A1 (0.51) HTTALDH1A1MAPT
SCHEMBL9402365 0.78 TLR7 (0.50) —
SCHEMBL9402252 0.77 AGTR1 (0.53) —

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
Send feedback