SCHEMBL9529948

SCHEMBL9529948

ON=C(c1cccnc1)c1ccccc1CCc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 6/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TBXAS1 P24557 1/20 0.42
ATM Q13315 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BLM P54132 1/20 0.39
HPGD P15428 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP1B1 Q16678 1/20 0.38

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
SCHEMBL9529668 0.90 KDM4E (0.47) GAAKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL9528579 0.83 ALDH1A1 (0.53) GAAKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL9528361 0.83 ALDH1A1 (0.50) KDM4EMAPTALDH1A1L3MBTL1LMNA
SCHEMBL9529147 0.82 NOTUM (0.44) GAAMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL9532147 0.79 CYP1A2 (0.44) GAAMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10406927 0.79 ALDH1A1 (0.44) MAPTALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL9528143 0.79 CYP1A2 (0.42) KDM4EMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL9529168 0.79 ALDH1A1 (0.45) GAAKDM4EMAPTALDH1A1LMNA
SCHEMBL9527614 0.79 EPHX2 (0.48) GAAKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL9527670 0.79 EPHX2 (0.48) KDM4EALDH1A1LMNASMN1; SMN2TBXAS1

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 2 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
EP-0366006-A1 Pyridylketoxime ether compound and pharmaceutical composition containing it KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-05-02 EP disclosed