SCHEMBL7654780

SCHEMBL7654780

O=c1c(O)c(-c2ccc(O)c(O)c2)oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
ALOX12 P18054 3/20 0.55
KDM4E B2RXH2 2/20 0.55
TP53 P04637 2/20 0.55
CYP3A4 P08684 2/20 0.55
MAPT P10636 2/20 0.55
CYP2C9 P11712 2/20 0.55
ALOX15 P16050 2/20 0.55
CDK2 P24941 2/20 0.55
MAPK1 P28482 2/20 0.55
RECQL P46063 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP2D6 P10635 1/20 0.55
ST6GAL1 P15907 1/20 0.55
CYP2C19 P33261 1/20 0.55
PTPN2 P17706 3/20 0.51
PTPN1 P18031 3/20 0.51
PTPN5 P54829 3/20 0.51
ALDH1A1 P00352 3/20 0.50

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
SCHEMBL7660698 0.89 MAPT (0.58) KMT2AMEN1ALOX12KDM4ETP53
SCHEMBL7654276 0.86 MAPT (0.58) KMT2AMEN1ALOX12KDM4ETP53
SCHEMBL7658366 0.85 MEN1 (0.50) KMT2AMEN1ALOX12KDM4ETP53
SCHEMBL7661882 0.85 MEN1 (0.52) KMT2AMEN1ALOX12KDM4ETP53
SCHEMBL7660305 0.85 MEN1 (0.53) KMT2AMEN1ALOX12KDM4ETP53
SCHEMBL7663357 0.85 KDM4E (0.52) KMT2AMEN1ALOX12KDM4ETP53
SCHEMBL7657381 0.85 MEN1 (0.52) KMT2AMEN1ALOX12KDM4ETP53
SCHEMBL7659889 0.83 TDP1 (0.53) KMT2AMEN1ALOX12KDM4ETP53
SCHEMBL7656155 0.83 ERAP1 (0.59) KMT2AMEN1ALOX12KDM4ETP53
SCHEMBL7654319 0.82 MEN1 (0.51) KMT2AMEN1ALOX12KDM4ETP53

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
US-6500846-B1 2-(4-CHLOROPHENYL)-7-METHOXYCHROMEN-4-ONE, AS CYCLIN-DEPENDENT KINASE INHIBITORS, USED AS ANTICARCINOGENIC AGENTS OR FOR PROPHYLAXIS OF NEURODEGENERATIVE DISEASE LG CHEMICAL, LTD. (KR) 2002-12-31 US claimed
EP-1109800-A1 NOVEL CDK INHIBITORS HAVING FLAVONE STRUCTURE LG CHEMICAL LIMITED (KR) 2001-06-27 EP claimed
WO-2000012496-A1 NOVEL CDK INHIBITORS HAVING FLAVONE STRUCTURE LG CHEMICAL LTD. (KR) 2000-03-09 WO claimed
US-6500846-B1 2-(4-CHLOROPHENYL)-7-METHOXYCHROMEN-4-ONE, AS CYCLIN-DEPENDENT KINASE INHIBITORS, USED AS ANTICARCINOGENIC AGENTS OR FOR PROPHYLAXIS OF NEURODEGENERATIVE DISEASE LG CHEMICAL, LTD. (KR) 2002-12-31 US disclosed
EP-1109800-A1 NOVEL CDK INHIBITORS HAVING FLAVONE STRUCTURE LG CHEMICAL LIMITED (KR) 2001-06-27 EP disclosed
WO-2000012496-A1 NOVEL CDK INHIBITORS HAVING FLAVONE STRUCTURE LG CHEMICAL LTD. (KR) 2000-03-09 WO disclosed