SCHEMBL7025643

SCHEMBL7025643

O=c1[nH]c(=O)c2ccc(OCCCl)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.43
PDE3A Q14432 8/20 0.43
PARP1 P09874 4/20 0.42
KDM4E B2RXH2 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
P2RY12 Q9H244 6/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.40
ESR2 Q92731 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DRD1 P21728 1/20 0.39
PDE2A O00408 3/20 0.39
DRD2 P14416 3/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 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
SCHEMBL7031275 0.94 PDE3B (0.43) PDE3BPDE3APARP1KDM4ECA12
SCHEMBL7029278 0.88 PDE3B (0.54) PDE3BPDE3APARP1KDM4ECA12
SCHEMBL7034389 0.88 KDM4E (0.44) PDE3BPDE3APARP1KDM4ECA12
SCHEMBL7031273 0.85 MAPT (0.46) PDE3BPDE3APARP1KDM4ECA12
SCHEMBL7037717 0.82 PDE3B (0.54) PDE3BPDE3APARP1KDM4ECA12
SCHEMBL7031379 0.81 HSD17B10 (0.61) PDE3BPDE3APARP1KDM4ECA12
SCHEMBL30615172 0.81 HSD17B10 (0.61) PDE3BPDE3APARP1KDM4ECA12
SCHEMBL7031724 0.81 KDM4E (0.44) PDE3BPDE3APARP1KDM4ECA12
SCHEMBL7030050 0.78 MAOA (0.42) PDE3BPDE3APARP1KDM4ECA12
SCHEMBL31275105 0.76 KDM4E (0.60) PDE3BPDE3APARP1KDM4ECA12

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