SCHEMBL7344992

SCHEMBL7344992

CCC(C(=O)O)n1c(=O)[nH][nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 2/20 0.36
HCRTR1 O43613 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTPN7 P35236 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL6525042 0.84 POLB (0.40) POLBKDM4EMAPTALDH1A1HSD17B10
SCHEMBL29251519 0.74 POLB (0.36) POLBKDM4EALDH1A1MEN1KMT2A
SCHEMBL17371773 0.74 POLB (0.42) POLBKDM4EMAPTALDH1A1GAA
SCHEMBL7336986 0.71 KDM4E (0.45) KDM4EMAPTALDH1A1HCRTR1GAA
SCHEMBL27801894 0.71 POLB (0.59) POLBKDM4EALDH1A1MEN1KMT2A
SCHEMBL9432792 0.69 POLB (0.62) POLBKDM4EALDH1A1HPGD
SCHEMBL6937699 0.67 ALDH1A1 (0.40) POLBKDM4EMAPTALDH1A1GAA
SCHEMBL964946 0.67 DNMT1 (0.44) POLBKDM4EMAPTALDH1A1GAA
SCHEMBL698898 0.67 ALDH1A1 (0.56) POLBMAPTALDH1A1GAAMEN1
SCHEMBL7149835 0.66 POLB (0.64) POLBKDM4EMAPTALDH1A1HSD17B10

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-4307094-A ANTIHYPERTENSIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 1981-12-22 US disclosed