SCHEMBL7029183

SCHEMBL7029183

CC(C)(C)Oc1ccc2[nH]c(=O)[nH]c(=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.50
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 8/20 0.46
HPGD P15428 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PARP1 P09874 2/20 0.44
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
PDE3A Q14432 2/20 0.42
PDE3B Q13370 1/20 0.42
PARG Q86W56 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.41
GFER P55789 1/20 0.41
DYRK1A Q13627 2/20 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
SCHEMBL7040910 0.87 KIF11 (0.58) KIF11CA12CA9KDM4EALDH1A1
SCHEMBL7030752 0.84 KDM4E (0.60) KIF11CA12CA9KDM4EALDH1A1
SCHEMBL3124589 0.81 ALDH1A1 (0.63) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL7028358 0.79 HTR1D (0.48) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL7032301 0.77 HSD17B10 (0.61) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL3792832 0.77 PARP15 (0.54) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL7024662 0.76 PDE3B (0.53) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL7039556 0.75 PDE3B (0.57) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL7037717 0.75 PDE3B (0.54) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL7031638 0.75 PDE3B (0.54) CA12CA9KDM4EALDH1A1HPGD

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