SCHEMBL8714018

SCHEMBL8714018

O=Cc1ccc(O)c(C(=O)c2ncccc2O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
RAB9A P51151 2/20 0.43
PTGS2 P35354 1/20 0.43
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
GSTA1 P08263 1/20 0.40
EGLN2 Q96KS0 1/20 0.39
FTO Q9C0B1 1/20 0.39
PTPN1 P18031 2/20 0.39
HNF4A P41235 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN6 P29350 1/20 0.38
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
ERN1 O75460 2/20 0.38
HSP90AA1 P07900 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
IDO1 P14902 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
SCHEMBL8712176 0.80 GSTA1 (0.63) KDM4ERAB9AGSTA1EGLN2FTO
SCHEMBL8709808 0.79 CSNK2A1 (0.50) KDM4ERAB9AGSTA1EGLN2FTO
SCHEMBL8654976 0.78 FTO (0.45) KDM4EGSTA1EGLN2FTOALDH1A1
SCHEMBL8709073 0.77 KDM4E (0.50) KDM4EGSTA1EGLN2FTOALDH1A1
SCHEMBL8716457 0.76 CYP1A2 (0.53) KDM4ERAB9AGSTA1ALDH1A1NPSR1
SCHEMBL8711999 0.75 TRPA1 (0.42) KDM4ERAB9AGSTA1EGLN2FTO
SCHEMBL8709049 0.75 MAPT (0.53) KDM4ERAB9AALDH1A1L3MBTL1MEN1
SCHEMBL8772949 0.75 TLR7 (0.56) RAB9APTGS2GSTA1ALDH1A1MEN1
SCHEMBL27699633 0.75 FTO (0.55) KDM4ERAB9AEGLN2FTOALDH1A1
SCHEMBL8709623 0.74 NPC1 (0.52) KDM4ERAB9AEGLN2FTOALDH1A1

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-5716971-A FOR TREATMENT OF ANGINA PECTORIS AND HYPERTENSION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
EP-0623597-B1 Pyridine derivatives, with potassium channel opening activity TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-10-22 EP disclosed
EP-0623597-A1 Pyridine derivatives, with potassium channel opening activity Takeda Chemical Industries, Ltd. (JP) 1994-11-09 EP disclosed