SCHEMBL7652731

SCHEMBL7652731

O=C(NCc1ccccc1)Nc1ccc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
MAPT P10636 5/20 0.58
MEN1 O00255 5/20 0.58
CYP3A4 P08684 5/20 0.58
KMT2A Q03164 5/20 0.58
CYP2C9 P11712 4/20 0.58
HSD17B10 Q99714 4/20 0.58
TP53 P04637 3/20 0.58
ALOX15 P16050 3/20 0.58
MAPK1 P28482 3/20 0.58
ALOX12 P18054 2/20 0.58
CDK2 P24941 2/20 0.58
RECQL P46063 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C19 P33261 2/20 0.58
ST6GAL1 P15907 1/20 0.58
RAB9A P51151 1/20 0.48
TERT O14746 1/20 0.48
CDK5 Q00535 2/20 0.47
CDK5R1 Q15078 2/20 0.47

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
SCHEMBL7658406 0.88 KDM4E (0.62) KDM4EMAPTMEN1CYP3A4KMT2A
SCHEMBL7652671 0.83 MEN1 (0.57) KDM4EMAPTMEN1CYP3A4KMT2A
SCHEMBL7664503 0.83 KDM4E (0.61) KDM4EMAPTMEN1CYP3A4KMT2A
SCHEMBL7663171 0.81 MEN1 (0.55) KDM4EMAPTMEN1CYP3A4KMT2A
SCHEMBL7652753 0.81 MEN1 (0.55) KDM4EMAPTMEN1CYP3A4KMT2A
SCHEMBL7664270 0.80 MEN1 (0.55) KDM4EMAPTMEN1CYP3A4KMT2A
SCHEMBL7652860 0.80 MEN1 (0.60) KDM4EMAPTMEN1CYP3A4KMT2A
SCHEMBL5131189 0.80 KDM4E (0.54) KDM4EMAPTMEN1CYP3A4KMT2A
SCHEMBL7659342 0.78 MEN1 (0.52) KDM4EMAPTMEN1CYP3A4KMT2A
SCHEMBL7652030 0.77 MEN1 (0.51) KDM4EMAPTMEN1CYP3A4KMT2A

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 3 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 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