SCHEMBL8329396

SCHEMBL8329396

COC(=O)CC(=O)c1ccc(-n2c(C)nc3cnccc32)cc1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD1 P21728 1/20 0.44
THRB P10828 1/20 0.43
ROCK2 O75116 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL7869540 0.91 MEN1 (0.46) MEN1KMT2ADRD1ROCK2HSD17B10
SCHEMBL9559464 0.88 HSD17B10 (0.47) MEN1KMT2ADRD1ROCK2HSD17B10
SCHEMBL7497691 0.85 POLB (0.56) MEN1KMT2ADRD1HSD17B10MAPT
Hydrochloric Acid SCHEMBL9697856 0.83 MEN1 (0.45) MEN1KMT2ADRD1HSD17B10
Hydrochloric Acid SCHEMBL9523368 0.83 MEN1 (0.45) MEN1KMT2ADRD1HSD17B10
SCHEMBL9727194 0.82 TP53 (0.46) MEN1KMT2AROCK2HSD17B10MAPT
SCHEMBL9384977 0.81 HSD17B10 (0.49) MEN1KMT2ADRD1HSD17B10
SCHEMBL7505146 0.81 HSD17B10 (0.59) MEN1KMT2ADRD1THRBHSD17B10
SCHEMBL9523968 0.80 HSD17B10 (0.48) MEN1KMT2ADRD1HSD17B10
SCHEMBL9525676 0.80 HSD17B10 (0.48) MEN1KMT2ADRD1HSD17B10

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-0943615-A1 1,4-DIHYDROPYRIDINE DERIVATIVES Nikken Chemicals Company, Limited (JP) 1999-09-22 EP disclosed