SCHEMBL9309677

SCHEMBL9309677

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.37
HSD17B10 Q99714 6/20 0.33
ALDH1A1 P00352 6/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
TP53 P04637 2/20 0.33
RAB9A P51151 2/20 0.33
HCRTR1 O43613 1/20 0.33
KDM4E B2RXH2 4/20 0.33
ADORA2B P29275 4/20 0.33
HPGD P15428 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
USP2 O75604 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL9309904 0.92 MAPK1 (0.36) MAPK1HSD17B10ALDH1A1SMN1; SMN2MAPT
SCHEMBL9311392 0.90 AGTR1 (0.38) MAPK1
SCHEMBL9308876 0.87 MAPK1 (0.36) MAPK1HSD17B10ALDH1A1SMN1; SMN2MAPT
SCHEMBL9310339 0.85 KDM4E (0.33) MAPK1ALDH1A1SMN1; SMN2KDM4EADORA2B
SCHEMBL9310018 0.85 MAPK1 (0.34) MAPK1SMN1; SMN2MAPTALOX15TP53
SCHEMBL9308209 0.84 AGTR1 (0.39)
SCHEMBL9310271 0.83
SCHEMBL9308888 0.82 AGTR1 (0.31) SMN1; SMN2ADORA2BCYP1A2CYP2C9CYP2C19
SCHEMBL8545688 0.82 ALDH1A1 (0.38) MAPK1HSD17B10ALDH1A1MAPTALOX15
SCHEMBL9309667 0.82 AGTR1 (0.41)

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 1 patent. 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