SCHEMBL8944506

SCHEMBL8944506

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
HSD17B10 Q99714 2/20 0.62
PPARG P37231 5/20 0.60
AGTR1 P30556 2/20 0.58
AGTR2 P50052 2/20 0.58
NPSR1 Q6W5P4 2/20 0.55
MAPT P10636 1/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 2/20 0.52
ABCC3 O15438 1/20 0.50
ABCC4 O15439 1/20 0.50
USP2 O75604 1/20 0.50
ABCB11 O95342 1/20 0.50
CHRM2 P08172 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50

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
SCHEMBL9041589 0.87 KDM4E (0.59) KDM4EHSD17B10NPSR1MAPTMEN1
SCHEMBL8395355 0.87 KDM4E (0.53) KDM4EHSD17B10PPARGAGTR1AGTR2
SCHEMBL10443835 0.86 NPSR1 (0.65) KDM4EHSD17B10NPSR1MAPTMEN1
SCHEMBL8391622 0.85 PPARG (0.69) KDM4EHSD17B10PPARGAGTR1AGTR2
SCHEMBL8944521 0.85 PPARG (0.63) KDM4EHSD17B10PPARGAGTR1AGTR2
SCHEMBL246445 0.84 MAPT (0.71) KDM4EHSD17B10NPSR1MAPTMEN1
SCHEMBL8392673 0.82 PPARG (0.66) KDM4EHSD17B10PPARGAGTR1AGTR2
SCHEMBL9043965 0.82 KDM4E (0.52) KDM4EHSD17B10NPSR1MAPTMEN1
SCHEMBL8393562 0.81 SMN1; SMN2 (0.73) KDM4EHSD17B10PPARGAGTR1AGTR2
SCHEMBL8396864 0.81 PPARG (0.72) PPARGAGTR1AGTR2

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-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed