SCHEMBL7034299

SCHEMBL7034299

O=C(OCBr)c1ccc2c(=O)[nH]c(=O)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.48
CSNK2A1 P68400 2/20 0.43
KIF11 P52732 1/20 0.41
KDM4E B2RXH2 6/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 3/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
MAT2A P31153 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HCRTR1 O43613 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 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
SCHEMBL7027720 0.88 KDM4E (0.50) PARP1KDM4ECA12CA9ALDH1A1
SCHEMBL7026642 0.87 PARP1 (0.47) PARP1CSNK2A1KIF11KDM4ECA12
SCHEMBL7035462 0.85 PARP1 (0.45) PARP1CSNK2A1KIF11KDM4ECA12
SCHEMBL7028230 0.83 PARP1 (0.44) PARP1CSNK2A1KIF11KDM4ECA12
SCHEMBL31042188 0.82 PARP1 (0.69) PARP1CSNK2A1KIF11KDM4EALDH1A1
SCHEMBL938618 0.82 PARP1 (0.69) PARP1CSNK2A1KIF11KDM4EALDH1A1
SCHEMBL7030395 0.81 PARP1 (0.47) PARP1CSNK2A1KIF11KDM4ECA12
SCHEMBL7031753 0.78 PARP1 (0.47) PARP1CSNK2A1KIF11KDM4ECA12
SCHEMBL7031421 0.78 PARP1 (0.47) PARP1CSNK2A1KIF11KDM4ECA12
SCHEMBL1084591 0.78 PARP1 (0.66) PARP1CSNK2A1KIF11KDM4ECA12

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