SCHEMBL9309904

SCHEMBL9309904

CCOC(=O)c1c(C)nc(CC)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.36
SMN1; SMN2 Q16637 5/20 0.32
MAPT P10636 3/20 0.32
ALOX15 P16050 2/20 0.32
TP53 P04637 2/20 0.32
RAB9A P51151 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HCRTR1 O43613 1/20 0.32
HSD17B10 Q99714 3/20 0.32
ALDH1A1 P00352 2/20 0.32
ADORA2B P29275 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL9311392 0.94 AGTR1 (0.38) MAPK1AGTR1AGTR2
SCHEMBL9310339 0.92 KDM4E (0.33) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL9309677 0.92 MAPK1 (0.37) MAPK1SMN1; SMN2MAPTALOX15TP53
SCHEMBL9309605 0.90 MAPK1 (0.36) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL9308888 0.89 AGTR1 (0.31) SMN1; SMN2CYP1A2CYP2C9CYP2C19ADORA2B
SCHEMBL8545688 0.89 ALDH1A1 (0.38) MAPK1MAPTALOX15HSD17B10ALDH1A1
SCHEMBL9309199 0.88 EDNRA (0.32)
SCHEMBL9309368 0.87 MAPK1 (0.34) MAPK1TSHR
SCHEMBL9308209 0.85 AGTR1 (0.39) AGTR1AGTR2
Hydrochloric Acid SCHEMBL9310047 0.84 AGTR1 (0.33) MAPK1AGTR1AGTR2

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-5374646-A Treatment or prophylasix of hypertension and diseases associated with cognitive disorders GLAXO GROUP LIMITED (GB) 1994-12-20 US disclosed
WO-1992020673-A1 ANTIHYPOTENSIVE BENZOFURAN DERIVATIVES WITH N-LINKED 1H-IMIDAZOLYLMETHYL-5-CARBOXAMIDE SUBSTITUENTS GLAXO GROUP LIMITED (GB) 1992-11-26 WO disclosed
EP-0514216-A1 Antihypotensive benzofuran derivatives with N-linked 1H-imidazolyl-methyl-5-carboxamide substituents GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed