SCHEMBL9414271

SCHEMBL9414271

CCCc1cc(=O)n(CC(=O)OC)c(=O)n1Cc1ccccc1-c1ccccc1-c1nnn[nH]1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL9414237 0.90 AGTR1 (0.34) KDM4E
SCHEMBL8539427 0.88 AGTR1 (0.42)
SCHEMBL9414266 0.88 AGTR1 (0.33)
SCHEMBL9414231 0.85 PPARG (0.38) KMT2AMEN1CYP2C9CYP2C19HSD17B10
SCHEMBL9414205 0.85 AGTR1 (0.35)
SCHEMBL9414259 0.85 HPGD (0.35)
SCHEMBL9414217 0.84 AGTR1 (0.34)
SCHEMBL9414234 0.83 GAA (0.31) CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9414216 0.81 AGTR1 (0.32)
SCHEMBL8541171 0.81 AGTR1 (0.49)

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
EP-0589201-A1 Di- and triazindeones MERCK PATENT GmbH (DE) 1994-03-30 EP disclosed