SCHEMBL8710463

SCHEMBL8710463

c1ccc(CON=C(c2ccccc2)c2cccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
LMNA P02545 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
TBXAS1 P24557 9/20 0.55
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
TBXA2R P21731 9/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.44

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
SCHEMBL9527696 0.90 TBXAS1 (0.52) KMT2ALMNATDP1TBXAS1ALDH1A1
SCHEMBL9530136 0.90 ALDH1A1 (0.62) KMT2ALMNATDP1TBXAS1ALDH1A1
SCHEMBL10407005 0.86 ALDH1A1 (0.63) KMT2ATBXAS1ALDH1A1MEN1MAPT
SCHEMBL9528581 0.85 TBXAS1 (0.59) KMT2ALMNATBXAS1ALDH1A1MEN1
SCHEMBL10452205 0.85 SMN1; SMN2 (0.49) KMT2ALMNATDP1TBXAS1ALDH1A1
SCHEMBL9528365 0.84 TBXAS1 (0.58) KMT2ALMNATDP1TBXAS1ALDH1A1
SCHEMBL9532300 0.84 TBXAS1 (0.57) KMT2ALMNATDP1TBXAS1ALDH1A1
Hydrochloric Acid SCHEMBL27649130 0.84 SMN1; SMN2 (0.47) KMT2ALMNATDP1TBXAS1ALDH1A1
SCHEMBL10406925 0.83 TBXAS1 (0.51) KMT2ALMNATDP1TBXAS1ALDH1A1
SCHEMBL9529664 0.83 TBXAS1 (0.63) KMT2ALMNATBXAS1ALDH1A1TBXA2R

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4099767-A None JP disclosed
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
EP-0366006-B1 PYRIDYLKETOXIME ETHER COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING IT KAKEN PHARMACEUTICAL CO., LTD. (JP) 1993-09-29 EP disclosed
JP-H0499767-A USE OF 3-BENZOYLPYRIDINE O-BENZYLOXIMES AS HERBICIDE NIPPON BAYERAGROCHEM KK 1992-03-31 JP disclosed
US-4971985-A ANTIISCHEMIC AGENTS, CARDIOVASCULAR DISORDERS KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed