SCHEMBL7651986

SCHEMBL7651986

O=c1c(O)c(-c2ccc(O)c(O)c2)oc2ccc(NS(=O)(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.51
KMT2A Q03164 9/20 0.51
MAPT P10636 8/20 0.51
GAA P10253 5/20 0.51
ALDH1A1 P00352 7/20 0.46
LMNA P02545 6/20 0.46
TDP1 Q9NUW8 4/20 0.45
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 2/20 0.44
PKM P14618 1/20 0.43
POLB P06746 1/20 0.42
CYP3A4 P08684 5/20 0.41
CYP2C9 P11712 5/20 0.41
CYP2C19 P33261 5/20 0.41
CYP2D6 P10635 3/20 0.41
CYP1A2 P05177 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL7658645 0.92 LMNA (0.54) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL7662595 0.89 MAPT (0.49) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL7664122 0.83 PTPN1 (0.51) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL7658419 0.81 LMNA (0.51) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL7652194 0.80 CDK2 (0.53) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7662599 0.79 KMT2A (0.45) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL7658366 0.77 MEN1 (0.50) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL7663357 0.77 KDM4E (0.52) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL7661882 0.77 MEN1 (0.52) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL7660698 0.77 MAPT (0.58) MEN1KMT2AMAPTALDH1A1LMNA

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