SCHEMBL8713136

SCHEMBL8713136

N#Cc1cccnc1C(=O)c1cc(Cl)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
LMNA P02545 5/20 0.48
KCNMA1 Q12791 4/20 0.46
HTT P42858 3/20 0.45
HPGD P15428 3/20 0.45
GAA P10253 1/20 0.45
TMPRSS4 Q9NRS4 2/20 0.44
KDR P35968 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GRM5 P41594 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
P2RX1 P51575 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
RECQL P46063 1/20 0.42
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8712738 0.85 KDM4C (0.40) MEN1KMT2ALMNAHPGDTMPRSS4
SCHEMBL27440948 0.84 HPGD (0.51) MEN1KMT2ALMNAHTTHPGD
SCHEMBL27411540 0.81 PDK1 (0.41) GRM5
SCHEMBL27796034 0.79 MEN1 (0.56) MEN1KMT2ALMNAKCNMA1HTT
SCHEMBL8712344 0.79 GRM4 (0.41) MEN1KMT2ALMNAHTTHPGD
SCHEMBL8710268 0.79 XDH (0.43) MEN1KMT2AGRM5MAPT
SCHEMBL8772947 0.78 KCNMA1 (0.48) KMT2ALMNAKCNMA1HPGDGAA
SCHEMBL8715621 0.77 ERN1 (0.47) MEN1KMT2ALMNAKCNMA1HTT
SCHEMBL8715276 0.75 EGLN2 (0.39) MEN1KMT2AKCNMA1HPGDGAA
SCHEMBL20567988 0.74 ELANE (0.41) MEN1KMT2AHPGDGAAGRM5

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 4 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
CN-1097741-A Pyridine derivate, Preparation Method And The Use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-01-25 CN disclosed
EP-0623597-A1 Pyridine derivatives, with potassium channel opening activity Takeda Chemical Industries, Ltd. (JP) 1994-11-09 EP disclosed