SCHEMBL9014469

SCHEMBL9014469

O=C(O)COc1cccc2c1CCCC2=CCONC(c1ccccc1)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.42
PTGIR P43119 10/20 0.40
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
MCL1 Q07820 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL9014464 1.00 TBXAS1 (0.42) TBXAS1PTGIRKMT2AMEN1MAPT
SCHEMBL9014522 0.92 PTGIR (0.40) TBXAS1PTGIR
SCHEMBL9014512 0.92 PTGIR (0.40) TBXAS1PTGIR
SCHEMBL9014441 0.91 TBXAS1 (0.41) TBXAS1PTGIRKMT2AHTTSMN1; SMN2
SCHEMBL9014438 0.91 TBXAS1 (0.41) TBXAS1PTGIRKMT2AHTTSMN1; SMN2
SCHEMBL9014215 0.89 TBXAS1 (0.39) TBXAS1PTGIRKMT2AHTTSMN1; SMN2
SCHEMBL9014217 0.89 TBXAS1 (0.39) TBXAS1PTGIRKMT2AHTTSMN1; SMN2
SCHEMBL9014311 0.87 TBXAS1 (0.43) TBXAS1PTGIR
SCHEMBL9014306 0.87 TBXAS1 (0.43) TBXAS1PTGIR
SCHEMBL9014287 0.86 TBXAS1 (0.40) TBXAS1PTGIRKMT2A

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-0581187-B1 Oxime derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 EP disclosed
US-5480998-A Oxime derivative ONO PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 US disclosed
EP-0581187-A1 Oxime derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-02-02 EP disclosed