SCHEMBL7029630

SCHEMBL7029630

O=c1[nH]c(=O)c2cc(CCc3ccccc3)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
PARP1 P09874 3/20 0.53
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
SIRT2 Q8IXJ6 1/20 0.51
SIRT6 Q8N6T7 1/20 0.51
IP6K1 Q92551 1/20 0.49
IP6K3 Q96PC2 1/20 0.49
IP6K2 Q9UHH9 1/20 0.49
PPARG P37231 2/20 0.48
PDE3A Q14432 1/20 0.45
DAO P14920 1/20 0.44
GABRA1 P14867 2/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL7028533 0.87 KDM4E (0.53) KDM4EPARP1CA12CA9PDE3A
SCHEMBL7028562 0.82 CA12 (0.47) KDM4EPARP1CA12CA9SIRT2
SCHEMBL7033620 0.82 CA12 (0.47) KDM4EPARP1CA12CA9SIRT2
SCHEMBL7028337 0.78 CA12 (0.50) KDM4EPARP1CA12CA9SIRT2
SCHEMBL20942693 0.78 GAA (0.66) KDM4EPARP1CA12CA9SIRT2
SCHEMBL2056368 0.78 ALDH1A1 (0.50) KDM4EPARP1CA12CA9DAO
SCHEMBL7034143 0.78 CA12 (0.50) KDM4EPARP1CA12CA9SIRT2
SCHEMBL7030548 0.75 SIRT6 (0.48) KDM4EPARP1CA12CA9SIRT2
SCHEMBL9761081 0.75 KDM4E (0.46) KDM4EPARP1CA12CA9DAO
SCHEMBL8900615 0.75 PDE3A (0.62) KDM4EPARP1CA12CA9PDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0878468-B1 Process for producing 1-substituted tetrahydroquinazolines SUMITOMO CHEMICAL CO (JP) 2003-03-19 EP disclosed
EP-0775697-B1 Process for producing 1-substituted tetrahydroquinazolindionen SUMITOMO CHEMICAL CO (JP) 2003-02-12 EP disclosed
US-5994542-A Process for producing 1-substituted tetrahydroquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-11-30 US disclosed
EP-0878468-A1 Process for producing 1-substituted tetrahydroquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-11-18 EP disclosed
US-5756738-A Process for producing 1-substituted tetrahydroquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-26 US disclosed
EP-0775697-A1 Process for producing 1-substituted tetrahydroquinazolindionen SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-05-28 EP disclosed