SCHEMBL7657720

SCHEMBL7657720

O=C(N1CCc2ccc(S(=O)(=O)Nc3ccc4oc(-c5ccc(O)c(O)c5)c(O)c(=O)c4c3)cc2C1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.41
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 4/20 0.39
MAPK1 P28482 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CDK2 P24941 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 2/20 0.39
ALOX15 P16050 2/20 0.39
ALOX12 P18054 2/20 0.39
RECQL P46063 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
ST6GAL1 P15907 1/20 0.39
USP2 O75604 1/20 0.37

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
SCHEMBL7659815 0.90 PKM (0.48) PKMESR1ESR2MEN1KMT2A
SCHEMBL7659818 0.80 PKM (0.36) PKMESR1ESR2MEN1KMT2A
SCHEMBL7661345 0.80 PNMT (0.49) PKMMEN1KMT2AMAPTMAPK1
SCHEMBL7656155 0.78 ERAP1 (0.59) PKMMEN1KMT2AMAPTMAPK1
SCHEMBL7658366 0.77 MEN1 (0.50) PKMMEN1KMT2AMAPTMAPK1
SCHEMBL7663357 0.77 KDM4E (0.52) PKMMEN1KMT2AMAPTMAPK1
SCHEMBL7659889 0.75 TDP1 (0.53) PKMESR2MEN1KMT2AMAPT
SCHEMBL7661882 0.75 MEN1 (0.52) PKMMEN1KMT2AMAPTMAPK1
SCHEMBL7660698 0.75 MAPT (0.58) PKMMEN1KMT2AMAPTMAPK1
SCHEMBL7660305 0.75 MEN1 (0.53) PKMMEN1KMT2AMAPTMAPK1

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