SCHEMBL9529159

SCHEMBL9529159

c1ccc(OCCON=C(c2ccccc2)c2ccccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 9/20 0.50
KDM4E B2RXH2 3/20 0.50
TBXAS1 P24557 2/20 0.49
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
AGTR1 P30556 1/20 0.46

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
SCHEMBL9528785 0.91 KDM4E (0.55) TBXA2RKDM4ETBXAS1MAPTHPGD
SCHEMBL9529712 0.91 SMN1; SMN2 (0.56) TBXA2RKDM4ETBXAS1MAPTHPGD
SCHEMBL9528881 0.85 TBXA2R (0.52) TBXA2RTBXAS1
SCHEMBL9527590 0.82 ALDH1A1 (0.58) TBXA2RTBXAS1MAPTHPGDLMNA
SCHEMBL1796749 0.79 NPC1 (0.53) TBXA2RKDM4ETBXAS1MAPTHPGD
SCHEMBL1796753 0.79 NPC1 (0.53) TBXA2RKDM4ETBXAS1MAPTHPGD
SCHEMBL8289135 0.79 NPC1 (0.53) TBXA2RKDM4ETBXAS1MAPTHPGD
SCHEMBL9530560 0.79 TBXAS1 (0.58) TBXA2RTBXAS1MAPTMEN1KMT2A
SCHEMBL9567509 0.78 KDM4E (0.58) TBXA2RKDM4ETBXAS1MAPTHPGD
SCHEMBL9529568 0.78 KDM4E (0.51) TBXA2RKDM4ETBXAS1MAPTHPGD

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