SCHEMBL9529668

SCHEMBL9529668

ON=C(c1cccnc1)c1ccccc1Cc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C19 P33261 4/20 0.44
CYP3A4 P08684 4/20 0.44
CYP2C9 P11712 1/20 0.44
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FTO Q9C0B1 1/20 0.43
TBXAS1 P24557 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 2/20 0.41
ATM Q13315 1/20 0.40
ADRA2A P08913 3/20 0.40
ADRA2B P18089 3/20 0.40
ADRA2C P18825 3/20 0.40
ADRA1D P25100 2/20 0.40

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
SCHEMBL9529948 0.90 GAA (0.47) KDM4EGAAMAPTALDH1A1L3MBTL1
SCHEMBL10407326 0.86 CYP2C19 (0.47) KDM4EMAPTALDH1A1CYP2C19CYP3A4
SCHEMBL9532085 0.82 CYP11B1 (0.45) KDM4EGAAALDH1A1CYP2C19CYP2C9
SCHEMBL10406923 0.79 CYP1A2 (0.40) KDM4EGAAMAPTALDH1A1L3MBTL1
SCHEMBL9527691 0.78 TSHR (0.45) KDM4EGAAMAPTALDH1A1L3MBTL1
SCHEMBL9529276 0.77 ALDH1A1 (0.46) KDM4EMAPTALDH1A1CYP2C19CYP3A4
SCHEMBL9527237 0.77 KMT2A (0.37) KDM4EALDH1A1CYP2C19CYP3A4CYP2C9
SCHEMBL9528361 0.75 ALDH1A1 (0.50) KDM4EMAPTALDH1A1L3MBTL1LMNA
SCHEMBL9528579 0.75 ALDH1A1 (0.53) KDM4EGAAMAPTALDH1A1L3MBTL1
SCHEMBL9529147 0.74 NOTUM (0.44) GAAMAPTALDH1A1LMNASMN1; SMN2

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