SCHEMBL9340967

SCHEMBL9340967

CCCCc1ccc(CN(C(C)=O)C(C)C)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.44
ALDH1A1 P00352 7/20 0.44
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 5/20 0.43
HSD17B10 Q99714 6/20 0.37
NPSR1 Q6W5P4 2/20 0.37
APAF1 O14727 1/20 0.37
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
PKM P14618 1/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
DAO P14920 1/20 0.33
TYMP P19971 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
SCHEMBL9337584 0.85 MAPT (0.37) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL9340882 0.82 GPR84 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL9341346 0.80 ALDH1A1 (0.41) KDM4EALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL9337173 0.79 MAPT (0.36) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL9230501 0.78 KDM4E (0.41) KDM4EALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL9341177 0.77 MAPT (0.35) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL9337293 0.76 GPR84 (0.44) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL9339168 0.75 MAPT (0.37) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL9337400 0.73 KDM4E (0.38) KDM4EALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL9337476 0.73 MAPT (0.38) KDM4EALDH1A1HPGDSMN1; SMN2TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5332750-A Treatment of hypertension, aldosteronism, cardiac insufficienc y MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-07-26 US disclosed
EP-0530702-A1 1,2-dihydro-2-oxopyridines as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-03-10 EP disclosed