SCHEMBL8076307

SCHEMBL8076307

[CH2]c1cn(C(=O)OC(C)C)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
BCHE P06276 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.43
P2RX4 Q99571 1/20 0.41
ELANE P08246 3/20 0.41
F2 P00734 1/20 0.41
PLAU P00749 1/20 0.41
MAPT P10636 1/20 0.40
KAT2B Q92831 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.38
THRB P10828 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
LMNA P02545 1/20 0.37
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL8087743 0.85 KMT2A (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL8076309 0.84 KMT2A (0.47) KMT2AMEN1BCHEALDH1A1SMN1; SMN2
SCHEMBL8076272 0.82 KMT2A (0.67) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL8083506 0.81 P2RX4 (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL6283431 0.79 L3MBTL1 (0.53) KMT2AMEN1BCHEALDH1A1HPGD
SCHEMBL24746766 0.79 L3MBTL1 (0.47) KMT2AMEN1BCHEALDH1A1SMN1; SMN2
SCHEMBL1196430 0.78 L3MBTL1 (0.59) KMT2AMEN1BCHEALDH1A1HPGD
SCHEMBL887129 0.76 HTT (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL8089256 0.76 MEN1 (0.44) KMT2AMEN1BCHEALDH1A1SMN1; SMN2
SCHEMBL24746652 0.76 HTR6 (0.54)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555537-B1 Endothelin antagonists BANYU PHARMA CO LTD (JP) 2000-11-02 EP disclosed
US-5614498-A OLIGOPEPTIDES, BRONCHDILATORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
US-5496928-A Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-03-05 US disclosed
EP-0555537-A2 Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-18 EP disclosed