SCHEMBL9706611

SCHEMBL9706611

CCOC(=O)c1cc(-n2c(=O)[nH]c3c(c2=O)CCC3)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PARP1 P09874 1/20 0.46
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
NPC1 O15118 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37

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
SCHEMBL10647208 0.98 PARP1 (0.47) KDM4ESMN1; SMN2PARP1ALDH1A1HPGD
SCHEMBL10647288 0.85 CYP4F2 (0.41) KDM4ESMN1; SMN2PARP1ALDH1A1HPGD
SCHEMBL10645392 0.84 NPC1 (0.41) KDM4ESMN1; SMN2ALDH1A1HPGDTP53
SCHEMBL9706593 0.84 TDP1 (0.48) KDM4EALDH1A1HPGDTP53HSD17B10
SCHEMBL9706647 0.84 SLC6A2 (0.37) KDM4ESMN1; SMN2PARP1ALDH1A1HPGD
SCHEMBL9706674 0.82 TDP1 (0.48) KDM4EALDH1A1HPGDTP53HSD17B10
SCHEMBL10645317 0.81 CYP4F2 (0.47) KDM4ESMN1; SMN2PARP1ALDH1A1CYP4F2
SCHEMBL9706591 0.80 KDM4E (0.51) KDM4ESMN1; SMN2PARP1ALDH1A1HPGD
SCHEMBL9706530 0.78 KDM4E (0.48) KDM4ESMN1; SMN2PARP1ALDH1A1HPGD
SCHEMBL10644841 0.77 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2PARP1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0195346-B1 3-ARYL URACILES AND THEIR USE AS HERBICIDES CIBA-GEIGY AG (CH) 1992-06-24 EP claimed
US-4812164-A PYRIMIDINES HOFFMANN-LA ROCHE INC. (US) 1989-03-14 US disclosed
US-4760163-A 3-(5-carboxy-4-substituted-phenyl)-(thio)uracil-esters and salts HOFFMANN-LAROCHE INC. (US) 1988-07-26 US disclosed
US-4746352-A HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1988-05-24 US disclosed