SCHEMBL9529153

SCHEMBL9529153

Clc1ccc(OCCON=C(c2ccccc2)c2cccnc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.53
GLA P06280 1/20 0.51
TBXA2R P21731 10/20 0.50
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL9530560 0.91 TBXAS1 (0.58) TBXAS1TBXA2RALDH1A1MAPT
SCHEMBL9529177 0.89 ALDH1A1 (0.52) TBXAS1TBXA2RPSEN1PSEN2APH1B
SCHEMBL9529764 0.88 TBXAS1 (0.56) TBXAS1TBXA2RALDH1A1NPC1POLB
SCHEMBL9528785 0.81 KDM4E (0.55) TBXAS1TBXA2RALDH1A1NPC1MAPT
SCHEMBL9527696 0.81 TBXAS1 (0.52) TBXAS1GLATBXA2RALDH1A1NPC1
SCHEMBL9527590 0.79 ALDH1A1 (0.58) TBXAS1TBXA2RALDH1A1MAPTSMN1; SMN2
SCHEMBL8805695 0.78 TBXAS1 (0.56) TBXAS1TBXA2RALDH1A1MAPT
SCHEMBL8805691 0.78 TBXAS1 (0.56) TBXAS1TBXA2RALDH1A1MAPT
SCHEMBL9531940 0.78 TBXA2R (0.65) TBXAS1TBXA2R
SCHEMBL5429070 0.77 TBXAS1 (0.52) TBXAS1TBXA2RALDH1A1MAPT

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
US-4971985-A ANTIISCHEMIC AGENTS, CARDIOVASCULAR DISORDERS KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed