SCHEMBL7033751

SCHEMBL7033751

O=c1[nH]c(=O)c2cc(Br)c(Br)c(Br)c2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.48
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
TYMP P19971 7/20 0.38
PNP P00491 1/20 0.38
GDA Q9Y2T3 1/20 0.37
KDM4E B2RXH2 3/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
PARP1 P09874 1/20 0.35
GSK3B P49841 1/20 0.34
BACE1 P56817 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CASP6 P55212 2/20 0.33
XDH P47989 1/20 0.33
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL7032941 0.76 IDH1 (0.43) IDH1CSNK2A2CSNK2BCSNK2A1TYMP
SCHEMBL7032385 0.76 MAPT (0.40) IDH1CSNK2A2CSNK2BCSNK2A1TYMP
SCHEMBL17883940 0.73 ALDH1A1 (0.49) IDH1CSNK2A2CSNK2BCSNK2A1TYMP
SCHEMBL7031558 0.73 PARP1 (0.37) IDH1CSNK2A2CSNK2BCSNK2A1TYMP
SCHEMBL17873615 0.73 IDH1 (0.35) IDH1CSNK2A2CSNK2BCSNK2A1TYMP
SCHEMBL31115499 0.73 PARP1 (0.36) IDH1CSNK2A2CSNK2BCSNK2A1PARP1
SCHEMBL29509953 0.73 GRIN2D (0.40) IDH1CSNK2A2CSNK2BCSNK2A1TYMP
SCHEMBL19104275 0.73 GRIN2D (0.40) IDH1CSNK2A2CSNK2BCSNK2A1TYMP
SCHEMBL7032938 0.72 IDH1 (0.43) IDH1CSNK2A2CSNK2BCSNK2A1TYMP
SCHEMBL7024794 0.72 IDH1 (0.43) IDH1CSNK2A2CSNK2BCSNK2A1TYMP

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