SCHEMBL7659448

SCHEMBL7659448

O=c1c(O)c(C2=COC(Cc3ccccc3)O2)oc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
GFER P55789 1/20 0.36
HSPD1 P10809 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN5 P54829 1/20 0.34
HSPE1 P61604 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
HIF1A Q16665 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL7657396 0.92 PTPN2 (0.41) TP53MAPTALDH1A1THRBSMN1; SMN2
SCHEMBL7654281 0.90 HIF1A (0.45) TP53MAPTALDH1A1THRBSMN1; SMN2
SCHEMBL7665046 0.89 HIF1A (0.42) TP53MAPTALDH1A1THRBSMN1; SMN2
SCHEMBL7658172 0.88 HIF1A (0.44) TP53MAPTALDH1A1THRBSMN1; SMN2
SCHEMBL7858188 0.88 TDP1 (0.45) TP53MAPTALDH1A1THRBSMN1; SMN2
SCHEMBL7656711 0.87 HIF1A (0.44) TP53MAPTALDH1A1THRBSMN1; SMN2
SCHEMBL7657829 0.87 MEN1 (0.38) TP53MAPTTHRBSMN1; SMN2MEN1
SCHEMBL7660123 0.86 HSPD1 (0.47) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL7855840 0.84 PNMT (0.42) TP53MAPTTHRBSMN1; SMN2MEN1
SCHEMBL7662599 0.81 KMT2A (0.45) TP53MAPTALDH1A1SMN1; SMN2LMNA

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