SCHEMBL7026191

SCHEMBL7026191

O=c1[nH]c(=O)c2cc(-n3cccn3)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
PARP1 P09874 1/20 0.44
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
NOTUM Q6P988 1/20 0.41
CHRM1 P11229 1/20 0.39
PDE3A Q14432 2/20 0.38
CHEK1 O14757 1/20 0.38
CDK7 P50613 1/20 0.38
NAPEPLD Q6IQ20 1/20 0.38
KDM5B Q9UGL1 2/20 0.37
RORC P51449 1/20 0.37
KDM4A O75164 1/20 0.37
KDM4B O94953 1/20 0.37
KDM5C P41229 1/20 0.37
SIRT6 Q8N6T7 2/20 0.37

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
SCHEMBL7030503 0.77 KDM4E (0.50) KDM4ECA12CA9PARP1ALDH1A1
SCHEMBL19211240 0.75 LMNA (0.43) KDM4EERCC1ERCC4ALDH1A1MAPK1
SCHEMBL19211233 0.74 NOTUM (0.45) KDM4EERCC1ERCC4ALDH1A1MAPK1
SCHEMBL7026561 0.74 PRMT5 (0.53) PDE3ACHEK1NAPEPLDSIRT6
SCHEMBL19211258 0.74 NGFR (0.42) KDM4ECA12CA9ERCC1ERCC4
Hydrochloric Acid SCHEMBL19211196 0.74 LMNA (0.42) KDM4EERCC1ERCC4ALDH1A1MAPK1
SCHEMBL3973651 0.72 CA12 (0.45) KDM4ECA12CA9ERCC1ERCC4
SCHEMBL19249206 0.72 DRD4 (0.39) KDM4EERCC1ERCC4ALDH1A1MAPK1
SCHEMBL14057557 0.72 AHR (0.47) KDM4EALDH1A1MAPK1NOTUMCHEK1
SCHEMBL19211172 0.71 KDM4E (0.45) KDM4EALDH1A1MAPK1RORCLMNA

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 9 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
EP-0691967-B1 NITROGEN-CONTAINING FUSED-HETEROCYCLE COMPOUNDS EISAI CO LTD (JP) 1998-09-02 EP disclosed
US-5756738-A Process for producing 1-substituted tetrahydroquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-26 US disclosed
US-5707998-A CYCLIC-GMP PHOSPHODIESTERASE INHIBITORS, TREATING CARDIOVASCULAR DISORDERS AND ASTHMA EISAI CO., LTD. (JP) 1998-01-13 US disclosed
EP-0775697-A1 Process for producing 1-substituted tetrahydroquinazolindionen SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-05-28 EP disclosed
WO-1994022855-A1 NITROGEN-CONTAINING FUSED-HETEROCYCLE COMPOUNDS EISAI CO., LTD. (JP) 1994-10-13 WO disclosed