SCHEMBL8954122

SCHEMBL8954122

CCCSc1ncc(CCO)n1Cc1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.48
▸ POLB P06746 5/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL7060199 0.91 TP53 (0.57) TP53POLBALDH1A1GAAHSD17B10
SCHEMBL9272194 0.89 TP53 (0.44) TP53POLBHTTMAPK1
Hydrochloric Acid SCHEMBL8954138 0.88 TP53 (0.43) TP53POLBHTTMAPK1
SCHEMBL7059041 0.87 TP53 (0.45) TP53POLBALDH1A1GAAHSD17B10
SCHEMBL8954062 0.87 TP53 (0.47) TP53
Hydrochloric Acid SCHEMBL7060217 0.86 TP53 (0.45) TP53POLBALDH1A1GAAHSD17B10
SCHEMBL8954170 0.85 TP53 (0.46) TP53
SCHEMBL7054174 0.84 TP53 (0.48) TP53
SCHEMBL9472519 0.82 TP53 (0.44) TP53
SCHEMBL9472517 0.82 ALDH1A1 (0.47) TP53ALDH1A1HSD17B10HTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530017-A CONGESTIVE HEART FAILURE, RENAL FAILURE AND GLAUCOMA SMITHKLINE BEECHAM CORP (US) 1996-06-25 — — US disclosed
EP-0701428-A1 AGENTS CONTAINING 1,2-NAPTHOQUINONE FOR DYEING KERATIN-CONTAINING FIBRES HENKEL KGAA (DE) 1996-03-20 — — EP disclosed
US-5444080-A Hypotensive agents SMITHKLINE BEECHAM CORPORATION (US) 1995-08-22 — — US disclosed
WO-1994028862-A1 AGENTS CONTAINING 1,2-NAPTHOQUINONE FOR DYEING KERATIN-CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1994-12-22 — — WO disclosed
EP-0541705-A4 SUBSTITUTED 1H-IMIDAZOL-5-YL)ALKANOIC ACIDS — 1993-11-10 — — EP disclosed
EP-0541705-A1 SUBSTITUTED 1H-IMIDAZOL-5-YL]ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-05-19 — — EP disclosed
EP-0437103-A2 Substituted 5-(alkyl)carboxamide imidazoles SMITHKLINE BEECHAM CORPORATION (US) 1991-07-17 — — EP disclosed
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