SCHEMBL7030752

SCHEMBL7030752

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
KIF11 P52732 1/20 0.50
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
PARP1 P09874 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CES1 P23141 1/20 0.42
CCNT1 O60563 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
MET P08581 1/20 0.41
PARG Q86W56 1/20 0.41
GRIA1 P42261 1/20 0.40

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
SCHEMBL7033184 0.87 KIF11 (0.58) KDM4ECRHBPCRHR2KIF11CA12
SCHEMBL7029183 0.84 KIF11 (0.50) KDM4ECRHBPCRHR2KIF11CA12
SCHEMBL3036012 0.83 KDM4E (0.54) KDM4ECRHBPCRHR2KIF11CES1
SCHEMBL29799131 0.81 KIF11 (0.66) KDM4ECRHBPCRHR2KIF11ALDH1A1
SCHEMBL12075217 0.79 KDM4E (0.61) KDM4ECRHBPCRHR2KIF11ALDH1A1
SCHEMBL3124589 0.78 ALDH1A1 (0.63) KDM4ECA12CA9PARP1ALDH1A1
SCHEMBL2539400 0.76 KDM4E (0.58) KDM4ECRHBPCRHR2KIF11ALDH1A1
SCHEMBL462640 0.76 MAPT (0.54) KDM4ECRHBPCRHR2KIF11CES1
SCHEMBL7030547 0.76 GABRA1 (0.45) KDM4ECRHBPCRHR2KIF11CA12
SCHEMBL10134608 0.76 KDM4E (0.51) KDM4ECRHBPCRHR2KIF11PARP1

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