SCHEMBL9527696

SCHEMBL9527696

Clc1ccc(CON=C(c2ccccc2)c2cccnc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.52
TBXA2R P21731 4/20 0.52
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
TSHR P16473 1/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.44
USP2 O75604 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL8710463 0.90 KMT2A (0.56) TBXAS1TBXA2RCYP1A2CYP3A4CYP2D6
SCHEMBL9528177 0.88 ALDH1A1 (0.56) TBXAS1TBXA2RCYP1A2CYP3A4CYP2D6
SCHEMBL9530136 0.87 ALDH1A1 (0.62) TBXAS1TBXA2RCYP1A2CYP3A4CYP2D6
SCHEMBL9529153 0.81 TBXAS1 (0.53) TBXAS1TBXA2RALDH1A1MAPTGLA
SCHEMBL9530015 0.79 KDM4E (0.57) LMNAALDH1A1MAPTGAAHPGD
SCHEMBL10406925 0.77 TBXAS1 (0.51) TBXAS1TBXA2RCYP1A2CYP3A4CYP2D6
SCHEMBL10407005 0.77 ALDH1A1 (0.63) TBXAS1TBXA2RCYP1A2CYP3A4CYP2D6
SCHEMBL9528581 0.77 TBXAS1 (0.59) TBXAS1TBXA2RKMT2ALMNAALDH1A1
Hydrochloric Acid SCHEMBL8482821 0.77 LMNA (0.54) TSHRKMT2ALMNATDP1ALDH1A1
Hydrochloric Acid SCHEMBL8482819 0.77 LMNA (0.54) TSHRKMT2ALMNATDP1ALDH1A1

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
EP-0366006-B1 PYRIDYLKETOXIME ETHER COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING IT KAKEN PHARMACEUTICAL CO., LTD. (JP) 1993-09-29 EP disclosed
US-4971985-A ANTIISCHEMIC AGENTS, CARDIOVASCULAR DISORDERS KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed
EP-0366006-A1 Pyridylketoxime ether compound and pharmaceutical composition containing it KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-05-02 EP disclosed