SCHEMBL7654281

SCHEMBL7654281

O=c1c(O)c(C2=COC(Cc3ccccc3)O2)oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.45
PGAM1 P18669 1/20 0.42
BRD4 O60885 1/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN5 P54829 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
ALOX12 P18054 2/20 0.39
AKR1C3 P42330 1/20 0.38
NR1I2 O75469 1/20 0.38
PKM P14618 1/20 0.38
PKLR P30613 1/20 0.38
PGR P06401 1/20 0.38
TP53 P04637 4/20 0.38
MAPT P10636 4/20 0.38
THRB P10828 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
SCHEMBL7659448 0.90 TP53 (0.37) HIF1AKMT2AALDH1A1MEN1PTPN2
SCHEMBL7657396 0.89 PTPN2 (0.41) PGAM1KMT2AALDH1A1MEN1PTPN2
SCHEMBL7665046 0.89 HIF1A (0.42) HIF1APGAM1KMT2AALDH1A1MEN1
SCHEMBL7858188 0.89 TDP1 (0.45) KMT2AALDH1A1MEN1PTPN1SMN1; SMN2
SCHEMBL7656711 0.88 HIF1A (0.44) HIF1APGAM1BRD4KMT2AALDH1A1
SCHEMBL7658172 0.87 HIF1A (0.44) HIF1APGAM1BRD4KMT2AALDH1A1
SCHEMBL7660123 0.87 HSPD1 (0.47) HIF1AKMT2AALDH1A1MEN1PTPN2
SCHEMBL7855840 0.84 PNMT (0.42) BRD4KMT2AMEN1SMN1; SMN2TP53
SCHEMBL7657829 0.83 MEN1 (0.38) HIF1ABRD4KMT2AMEN1PTPN2
SCHEMBL7662599 0.82 KMT2A (0.45) KMT2AALDH1A1MEN1SMN1; 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 1 patent. 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