SCHEMBL7658172

SCHEMBL7658172

O=c1c(O)c(C2=COC(Cc3ccccc3)O2)oc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.44
PTPN2 P17706 3/20 0.43
PTPN1 P18031 3/20 0.43
PTPN5 P54829 3/20 0.43
PGAM1 P18669 1/20 0.42
AR P10275 1/20 0.41
MAPT P10636 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSPD1 P10809 2/20 0.39
HSPE1 P61604 2/20 0.39
TP53 P04637 4/20 0.38
THRB P10828 1/20 0.38

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 0.91 PTPN2 (0.41) PTPN2PTPN1PTPN5PGAM1AR
SCHEMBL7665046 0.90 HIF1A (0.42) HIF1APTPN2PTPN1PTPN5PGAM1
SCHEMBL7858188 0.89 TDP1 (0.45) PTPN1MAPTMEN1KMT2AALDH1A1
SCHEMBL7659448 0.88 TP53 (0.37) HIF1APTPN2PTPN1PTPN5MAPT
SCHEMBL7654281 0.87 HIF1A (0.45) HIF1APTPN2PTPN1PTPN5PGAM1
SCHEMBL7656711 0.85 HIF1A (0.44) HIF1APTPN2PTPN1PTPN5PGAM1
SCHEMBL7660123 0.84 HSPD1 (0.47) HIF1APTPN2PTPN1PTPN5MAPT
SCHEMBL7657829 0.83 MEN1 (0.38) HIF1APTPN2PTPN1PTPN5MAPT
SCHEMBL7855840 0.82 PNMT (0.42) MAPTMEN1KMT2ATP53THRB
SCHEMBL7659818 0.82 PKM (0.36) HIF1APTPN2PTPN1MAPTMEN1

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