SCHEMBL7409233

SCHEMBL7409233

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

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ POLB P06746 1/20 0.48
▸ ADRB2 P07550 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL9402287 0.88 LMNA (0.51) HTTALDH1A1LMNATP53HSP90AA1
SCHEMBL7409098 0.88 HPGD (0.56) LMNA
SCHEMBL7412061 0.85 ALDH1A1 (0.55) ALDH1A1LMNA
SCHEMBL9402388 0.84 ALDH1A1 (0.56) HTTALDH1A1LMNATP53MAPT
SCHEMBL9402349 0.80 AGTR1 (0.65) —
SCHEMBL9402219 0.79 — —
SCHEMBL9402495 0.79 AGTR1 (0.51) —
SCHEMBL7411417 0.78 — —
SCHEMBL9402334 0.78 — —
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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0515546-A4 TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT — 1993-05-12 — — EP disclosed
US-5177095-A Hypotensive agents MERCK & CO., INC. (US) 1993-01-05 — — US disclosed
EP-0515546-A1 TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-02 — — EP disclosed
WO-1991011909-A1 TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 — — WO disclosed
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