SCHEMBL7659818

SCHEMBL7659818

O=C(N1CCc2ccc(S(=O)(=O)Nc3ccc4oc(C5=COC(Cc6ccccc6)O5)c(O)c(=O)c4c3)cc2C1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
BCL2 P10415 2/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PAX8 Q06710 1/20 0.34
MAPT P10636 5/20 0.34
TP53 P04637 4/20 0.34
MOGAT2 Q3SYC2 2/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNA1 Q09470 1/20 0.33
KCNAB1 Q14722 1/20 0.33
MCL1 Q07820 1/20 0.33
BAD Q92934 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL7855840 0.83 PNMT (0.42) MAPTTP53THRBSMN1; SMN2MEN1
SCHEMBL7658172 0.82 HIF1A (0.44) PTPN2PTPN1MAPTTP53THRB
SCHEMBL7659448 0.81 TP53 (0.37) PTPN2PTPN1MAPTTP53THRB
SCHEMBL7657396 0.81 PTPN2 (0.41) PKMPTPN2PTPN1MAPTTP53
SCHEMBL7858188 0.80 TDP1 (0.45) PKMESR2PTPN1MAPTTP53
SCHEMBL7654281 0.80 HIF1A (0.45) PKMPTPN2PTPN1MAPTTP53
SCHEMBL7657720 0.80 PKM (0.41) PKMESR1ESR2MAPTTP53
SCHEMBL7665046 0.79 HIF1A (0.42) PKMPTPN2PTPN1MAPTTP53
SCHEMBL7656711 0.78 HIF1A (0.44) PKMBCL2PTPN2PTPN1MAPT
SCHEMBL7659815 0.77 PKM (0.48) PKMESR1ESR2MAPTTP53

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