SCHEMBL9509859

SCHEMBL9509859

CCCSc1ncc(C[C@H](N)C(=O)OCC)n1CCc1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
DRD2 P14416 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8957190 0.91 TP53 (0.38) TP53ADORA3ADORA2AADORA1DRD2
SCHEMBL7056477 0.91 TP53 (0.46) TP53ALDH1A1HSD17B10ADORA3ADORA2A
SCHEMBL7056482 0.91 TP53 (0.46) TP53ALDH1A1HSD17B10ADORA3ADORA2A
SCHEMBL8957161 0.84 TP53 (0.40) TP53ALDH1A1HSD17B10ADORA3ADORA2A
SCHEMBL9508507 0.84 TP53 (0.36) TP53ALDH1A1HSD17B10ADORA3ADORA2A
SCHEMBL8957023 0.81 TP53 (0.45) TP53ALDH1A1HSD17B10
SCHEMBL8957028 0.81 TP53 (0.45) TP53ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL9530574 0.80 MAPT (0.41) TP53ALDH1A1HSD17B10ADORA3ADORA2A
SCHEMBL8954186 0.79 TP53 (0.46) TP53ALDH1A1HSD17B10ADORA3ADORA2A
SCHEMBL9507591 0.79 FNTA (0.39) TP53ADORA3ADORA2AADORA1MAPT

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
EP-0561905-A1 USE OF ANGIOTENSIN II RECEPTOR ANTAGONISTS IN THE TREATMENT OF MACULAR DEGENERATION SMITHKLINE BEECHAM PLC (GB) 1993-09-29 EP disclosed
EP-0561896-A1 USE OF ANGIOTENSN II RECEPTOR ANTAGONISTS FOR THE PREPARATION OF A MEDICAMENT FOR IMPROVING COGNITIVE FUNCTION SMITHKLINE BEECHAM PLC (GB) 1993-09-29 EP disclosed