SCHEMBL8395355

SCHEMBL8395355

CC(C)(C)OC(=O)c1ccccc1-c1ccc(Cn2c(-c3cscn3)nc3ccccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
PPARG P37231 2/20 0.48
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
AGTR1 P30556 1/20 0.47
AGTR2 P50052 1/20 0.47
DRD2 P14416 1/20 0.46
TBXA2R P21731 1/20 0.46

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
SCHEMBL9043965 0.88 KDM4E (0.52) KDM4EHSD17B10MAPTNPSR1MEN1
SCHEMBL8394581 0.87 GRM2 (0.52) KDM4EHSD17B10ALDH1A1PPARGAGTR1
SCHEMBL8944506 0.87 KDM4E (0.62) KDM4EHSD17B10MAPTNPSR1MEN1
SCHEMBL8393163 0.87 TP53 (0.57) KDM4EMAPTNPSR1ALDH1A1LMNA
SCHEMBL8395988 0.85 DRD2 (0.54) KDM4EMAPTNPSR1ALDH1A1LMNA
SCHEMBL8394659 0.85 PPARG (0.54) PPARGAGTR1AGTR2DRD2TBXA2R
SCHEMBL8391881 0.84 ALDH1A1 (0.67) KDM4EHSD17B10MAPTNPSR1MEN1
SCHEMBL8395491 0.83 PPARG (0.54) PPARGAGTR1AGTR2DRD2TBXA2R
SCHEMBL8391700 0.83 PPARG (0.54) PPARGAGTR1AGTR2DRD2TBXA2R
SCHEMBL8391626 0.82 ALDH1A1 (0.53) KDM4EMAPTNPSR1ALDH1A1LMNA

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
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed