SCHEMBL9272194

SCHEMBL9272194

CCCSc1ncc(CCCl)n1Cc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
POLB P06746 3/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
Hydrochloric Acid SCHEMBL8954138 0.99 TP53 (0.43) TP53POLBHTTTSHRMAPK1
SCHEMBL7059041 0.90 TP53 (0.45) TP53POLBHTTTSHR
SCHEMBL8954122 0.89 TP53 (0.48) TP53POLBHTTMAPK1
Hydrochloric Acid SCHEMBL7060217 0.89 TP53 (0.45) TP53POLBHTTTSHR
SCHEMBL7060199 0.87 TP53 (0.57) TP53POLBHTTMAPK1
SCHEMBL8954062 0.85 TP53 (0.47) TP53
SCHEMBL8954170 0.84 TP53 (0.46) TP53
SCHEMBL7054174 0.83 TP53 (0.48) TP53
SCHEMBL9531817 0.83 TP53 (0.42) TP53POLBHTTTSHR
SCHEMBL9472517 0.81 ALDH1A1 (0.47) TP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5444080-A Hypotensive agents SMITHKLINE BEECHAM CORPORATION (US) 1995-08-22 US disclosed
US-5234917-A Hypotensive agent, treatment of renal failure or glaucoma SMITHKLINE BEECHAM CORPORATION 1993-08-10 US disclosed
EP-0437103-A2 Substituted 5-(alkyl)carboxamide imidazoles SMITHKLINE BEECHAM CORPORATION (US) 1991-07-17 EP disclosed