SCHEMBL8715276

SCHEMBL8715276

N#Cc1cc(O)c(C(=O)c2ncccc2O)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.39
FTO Q9C0B1 1/20 0.39
KDM4E B2RXH2 4/20 0.39
RECQL P46063 1/20 0.39
TLR7 Q9NYK1 4/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
SPR P35270 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
USP2 O75604 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP3A4 P08684 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
SCHEMBL8709198 0.90 GRM4 (0.41) EGLN2FTOKDM4ERECQLTLR7
SCHEMBL8712344 0.89 GRM4 (0.41) EGLN2FTOKDM4ETLR7PDK1
SCHEMBL8709617 0.89 GRM4 (0.41) EGLN2FTOTLR7PDK1PDK2
SCHEMBL8654976 0.81 FTO (0.45) EGLN2FTOKDM4ETLR7SPR
SCHEMBL27440948 0.78 HPGD (0.51) KDM4ETLR7ALDH1A1MAPTMEN1
SCHEMBL8709623 0.77 NPC1 (0.52) EGLN2FTOKDM4EALDH1A1MAPT
SCHEMBL8712738 0.76 KDM4C (0.40) KDM4ERECQLALDH1A1MAPTMEN1
SCHEMBL8713136 0.75 MEN1 (0.48) KDM4ERECQLALDH1A1MAPTMEN1
SCHEMBL27411540 0.75 PDK1 (0.41) PDK1PDK2PDK3PDK4GRM4
SCHEMBL27699633 0.75 FTO (0.55) EGLN2FTOKDM4ETLR7SPR

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