SCHEMBL9529952

SCHEMBL9529952

c1ccc(C(=NOCCc2cccc3ccccc23)c2cccnc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 12/20 0.52
TBXA2R P21731 11/20 0.48
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9529674 0.88 TBXAS1 (0.48) TBXAS1TBXA2RMAPTKDM4EGAA
SCHEMBL9529151 0.83 TBXAS1 (0.60) TBXAS1TBXA2RMAPTALDH1A1MEN1
SCHEMBL9529774 0.81 ALDH1A1 (0.50) TBXAS1TBXA2RKDM4EALDH1A1MEN1
SCHEMBL9532150 0.81 TBXAS1 (0.55) TBXAS1TBXA2RMAPTALDH1A1MEN1
SCHEMBL9528581 0.81 TBXAS1 (0.59) TBXAS1TBXA2RMAPTKDM4EALDH1A1
SCHEMBL9528365 0.80 TBXAS1 (0.58) TBXAS1TBXA2RMAPTKDM4EALDH1A1
SCHEMBL9532300 0.79 TBXAS1 (0.57) TBXAS1TBXA2RKDM4EALDH1A1MEN1
SCHEMBL9528147 0.76 TBXAS1 (0.55) TBXAS1TBXA2RMAPTALDH1A1MEN1
SCHEMBL9527676 0.76 TBXAS1 (0.63) TBXAS1TBXA2RKDM4EALDH1A1KMT2A
SCHEMBL9529664 0.76 TBXAS1 (0.63) TBXAS1TBXA2RKDM4EALDH1A1KMT2A

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