SCHEMBL9310018

SCHEMBL9310018

CCOC(=O)c1c(C)nc(C)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1-c1nnn[nH]1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
AGTR1 P30556 2/20 0.31
AGTR2 P50052 2/20 0.31
HCRTR1 O43613 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ADORA2B P29275 1/20 0.30

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
SCHEMBL9308537 0.92 AGTR1 (0.32) AGTR1AGTR2MAPT
Hydrochloric Acid SCHEMBL9310047 0.92 AGTR1 (0.33) MAPK1AGTR1AGTR2
SCHEMBL9309541 0.91
SCHEMBL9312813 0.91 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9310894 0.90 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9309367 0.89 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL8548762 0.87 ABCB11 (0.30) AGTR1AGTR2
SCHEMBL9309949 0.87 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9311255 0.86 MAPK1 (0.30) MAPK1SMN1; SMN2
SCHEMBL9310369 0.85 AGTR1 (0.40) AGTR1AGTR2

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
EP-0434249-A2 Benzofuran derivatives GLAXO GROUP LIMITED (GB) 1991-06-26 EP claimed
US-5374646-A Treatment or prophylasix of hypertension and diseases associated with cognitive disorders GLAXO GROUP LIMITED (GB) 1994-12-20 US disclosed
EP-0434249-A2 Benzofuran derivatives GLAXO GROUP LIMITED (GB) 1991-06-26 EP disclosed