SCHEMBL7658406

SCHEMBL7658406

O=C(Nc1ccccc1)Nc1ccc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.62
MEN1 O00255 8/20 0.62
KMT2A Q03164 8/20 0.62
CYP3A4 P08684 7/20 0.62
MAPT P10636 6/20 0.62
CYP2C9 P11712 6/20 0.62
HSD17B10 Q99714 6/20 0.62
ALOX15 P16050 6/20 0.62
TP53 P04637 5/20 0.62
MAPK1 P28482 4/20 0.62
RECQL P46063 4/20 0.62
ALOX12 P18054 3/20 0.62
CDK2 P24941 3/20 0.62
CYP2D6 P10635 3/20 0.62
CYP2C19 P33261 3/20 0.62
ST6GAL1 P15907 1/20 0.62
CDK5 Q00535 3/20 0.52
CDK5R1 Q15078 3/20 0.52
AMY1A P0DUB6 3/20 0.52
LMNA P02545 3/20 0.52

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
SCHEMBL7652753 0.90 MEN1 (0.55) KDM4EMEN1KMT2ACYP3A4MAPT
SCHEMBL7663171 0.90 MEN1 (0.55) KDM4EMEN1KMT2ACYP3A4MAPT
SCHEMBL7664270 0.89 MEN1 (0.55) KDM4EMEN1KMT2ACYP3A4MAPT
SCHEMBL7652671 0.89 MEN1 (0.57) KDM4EMEN1KMT2ACYP3A4MAPT
SCHEMBL7664503 0.88 KDM4E (0.61) KDM4EMEN1KMT2ACYP3A4MAPT
SCHEMBL7652731 0.88 KDM4E (0.58) KDM4EMEN1KMT2ACYP3A4MAPT
SCHEMBL7659342 0.87 MEN1 (0.52) KDM4EMEN1KMT2ACYP3A4MAPT
SCHEMBL7652030 0.86 MEN1 (0.51) KDM4EMEN1KMT2ACYP3A4MAPT
SCHEMBL7652860 0.85 MEN1 (0.60) KDM4EMEN1KMT2ACYP3A4MAPT
SCHEMBL7662602 0.84 RAB9A (0.66) KDM4EMEN1KMT2ACYP3A4MAPT

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