SCHEMBL7656711

SCHEMBL7656711

O=c1c(O)c(C2=COC(Cc3ccccc3)O2)oc2ccc(NS(=O)(=O)c3cccc(Br)c3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.44
BRD4 O60885 1/20 0.39
HSD17B2 P37059 1/20 0.39
PTPN1 P18031 2/20 0.39
PTPN5 P54829 2/20 0.39
PTPN2 P17706 1/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
PGR P06401 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
PIM1 P11309 1/20 0.37
LTK P29376 1/20 0.37
KDR P35968 1/20 0.37
MAPK14 Q16539 1/20 0.37
LRRK2 Q5S007 1/20 0.37
AURKB Q96GD4 1/20 0.37
ALK Q9UM73 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
SCHEMBL7665046 0.92 HIF1A (0.42) HIF1AHSD17B2PTPN1PTPN5PTPN2
SCHEMBL7654281 0.88 HIF1A (0.45) HIF1ABRD4PTPN1PTPN5PTPN2
SCHEMBL7659448 0.87 TP53 (0.37) HIF1APTPN1PTPN5PTPN2TP53
SCHEMBL7657396 0.87 PTPN2 (0.41) HSD17B2PTPN1PTPN5PTPN2TP53
SCHEMBL7858188 0.86 TDP1 (0.45) PTPN1TP53MAPTMEN1KMT2A
SCHEMBL7658172 0.85 HIF1A (0.44) HIF1ABRD4PTPN1PTPN5PTPN2
SCHEMBL7660123 0.85 HSPD1 (0.47) HIF1APTPN1PTPN5PTPN2MAPT
SCHEMBL7663238 0.85 EGFR (0.39) TP53MAPTMEN1KMT2AKDR
SCHEMBL7660080 0.84 MAPT (0.33) HIF1ATP53MAPTMEN1KMT2A
SCHEMBL7655744 0.84 NMUR2 (0.44) TP53MAPTMEN1KMT2APIM1

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