SCHEMBL8076309

SCHEMBL8076309

Cc1cn(C(=O)OC(C)C)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
BCHE P06276 1/20 0.44
TFPI2 P48307 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
P2RX4 Q99571 1/20 0.41
ELANE P08246 2/20 0.41
F2 P00734 1/20 0.41
PLAU P00749 1/20 0.41
MAPT P10636 3/20 0.40
FABP4 P15090 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL8076307 0.84 KMT2A (0.47) KMT2AMEN1BCHEALDH1A1HPGD
SCHEMBL8076273 0.82 KMT2A (0.67) KMT2AMEN1TFPI2ALDH1A1SMN1; SMN2
SCHEMBL2114760 0.81 L3MBTL1 (0.54) KMT2AMEN1BCHETFPI2ALDH1A1
SCHEMBL8083508 0.81 P2RX4 (0.46) KMT2AMEN1TFPI2ALDH1A1HPGD
SCHEMBL24746766 0.79 L3MBTL1 (0.47) KMT2AMEN1BCHEALDH1A1HPGD
SCHEMBL1196432 0.78 L3MBTL1 (0.62) KMT2AMEN1BCHETFPI2L3MBTL1
SCHEMBL27887683 0.78 TFPI2 (0.51) KMT2AMEN1TFPI2ALDH1A1KDM4E
SCHEMBL887130 0.76 CREBBP (0.55) KMT2AMEN1TFPI2ALDH1A1HPGD
SCHEMBL30622597 0.76 TFPI2 (0.54) KMT2AMEN1TFPI2ALDH1A1HPGD
SCHEMBL2594979 0.76 TFPI2 (0.54) KMT2AMEN1TFPI2ALDH1A1HPGD

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