SCHEMBL7030477

SCHEMBL7030477

C=CCc1ccc2c(=O)[nH]c(=O)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.44
KDM4E B2RXH2 4/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40
XDH P47989 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH2 P05091 1/20 0.39
GABRA1 P14867 1/20 0.39
AKR1B1 P15121 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL7033409 0.87 CA12 (0.46) PARP1KDM4ECA12CA9GAA
SCHEMBL6434650 0.81 XDH (0.48) PARP1KDM4EGAAXDHALDH1A1
SCHEMBL7026650 0.78 PARP1 (0.48) PARP1KDM4ECA12CA9GAA
SCHEMBL7027018 0.78 PARP1 (0.48) PARP1KDM4ECA12CA9GAA
SCHEMBL7028425 0.78 KIF11 (0.54) PARP1KDM4ECA12CA9GAA
SCHEMBL7029415 0.75 KDM4E (0.47) PARP1KDM4ECA12CA9GAA
SCHEMBL7027027 0.75 PARP1 (0.46) PARP1KDM4ECA12CA9GAA
SCHEMBL7029179 0.75 PARP1 (0.48) PARP1KDM4ECA12CA9ALDH1A1
SCHEMBL2731175 0.74 KDM4E (0.56) PARP1KDM4ECA12CA9GAA
SCHEMBL7023677 0.74 PARP1 (0.44) PARP1KDM4ECA12CA9GAA

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