SCHEMBL7409098

SCHEMBL7409098

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

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ SIRT2 Q8IXJ6 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ PDE6D O43924 1/20 0.49

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
SCHEMBL7409233 0.88 HTT (0.51) LMNA
SCHEMBL7412061 0.82 ALDH1A1 (0.55) LMNA
SCHEMBL9402212 0.81 AGTR1 (0.63) —
SCHEMBL7404978 0.81 PDE6D (0.53) PDE6D
SCHEMBL9525475 0.80 PDE6D (0.53) PDE6D
SCHEMBL9402275 0.79 — —
SCHEMBL7415878 0.79 PDE6D (0.57) PDE6D
SCHEMBL7417768 0.79 PDE6D (0.49) SIRT2PDE6D
SCHEMBL7416604 0.79 PDE6D (0.50) PDE6D
SCHEMBL7409094 0.79 AGTR2 (0.51) PDE6D

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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