SCHEMBL7652030

SCHEMBL7652030

O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.51
KMT2A Q03164 12/20 0.51
MAPT P10636 8/20 0.51
KDM4E B2RXH2 6/20 0.51
CYP3A4 P08684 6/20 0.51
HSD17B10 Q99714 6/20 0.51
CYP2C9 P11712 5/20 0.51
RECQL P46063 5/20 0.51
MAPK1 P28482 5/20 0.51
TP53 P04637 4/20 0.51
ALOX15 P16050 4/20 0.51
ALOX12 P18054 3/20 0.51
CDK2 P24941 3/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
ST6GAL1 P15907 1/20 0.51
LMNA P02545 4/20 0.47
CDK5 Q00535 3/20 0.47
CDK5R1 Q15078 3/20 0.47
APEX1 P27695 3/20 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 0.86 KDM4E (0.62) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL7651939 0.86 KMT2A (0.55) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL7652753 0.85 MEN1 (0.55) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL7663171 0.85 MEN1 (0.55) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL7664270 0.81 MEN1 (0.55) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL7652860 0.81 MEN1 (0.60) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL7656444 0.78 KMT2A (0.49) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL7659342 0.78 MEN1 (0.52) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL7652671 0.78 MEN1 (0.57) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL7643991 0.78 MEN1 (0.58) MEN1KMT2AMAPTKDM4ECYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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