SCHEMBL9529212

SCHEMBL9529212

COc1ccc(OCCc2ccccc2C(=NO)c2ccncc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 2/20 0.44
MGLL Q99685 1/20 0.42
DRD3 P35462 1/20 0.41
SLC2A1 P11166 2/20 0.40
HPGD P15428 2/20 0.39
LTA4H P09960 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 2/20 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
SCHEMBL9527584 0.90 LMNA (0.43) MAPTALDH1A1MAPK1HPGDLTA4H
SCHEMBL9529174 0.88 LTA4H (0.39) MAPTALDH1A1HPGDLTA4HL3MBTL1
SCHEMBL9529759 0.87 KMT2A (0.43) MAPTMGLLDRD3SMN1; SMN2LMNA
SCHEMBL9529710 0.83 RAB9A (0.44) MAPTALDH1A1MAPK1HPGDATM
SCHEMBL9529601 0.78 SLC2A1 (0.42) ALDH1A1SLC2A1L3MBTL1KDM4ECYP11B1
SCHEMBL9530556 0.77 MAPT (0.43) MAPTALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL9529148 0.76 GLA (0.45) MAPTALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL9532132 0.74 KMT2A (0.51) ALDH1A1MGLLCYP2C9KMT2AKDM4E
SCHEMBL10406688 0.73 ALDH1A1 (0.60) MAPTALDH1A1MAPK1DRD3HPGD
SCHEMBL9529150 0.73 CYP4F2 (0.41) MAPTALDH1A1HPGDL3MBTL1SMN1; 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