SCHEMBL8076272

SCHEMBL8076272

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

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.67
MEN1 O00255 2/20 0.67
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
NR4A2 P43354 3/20 0.45
MAPT P10636 4/20 0.43
POLB P06746 2/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AKR1C3 P42330 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
SCHEMBL6283431 0.83 L3MBTL1 (0.53) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL10842060 0.83 KMT2A (0.67) KMT2AMEN1ALDH1A1KDM4ETHRB
SCHEMBL8076273 0.83 KMT2A (0.67) KMT2AMEN1ALDH1A1KDM4ETHRB
SCHEMBL8076307 0.82 KMT2A (0.47) KMT2AMEN1ALDH1A1KDM4ETHRB
SCHEMBL1196430 0.82 L3MBTL1 (0.59) KMT2AMEN1ALDH1A1L3MBTL1HPGD
SCHEMBL10842053 0.81 KMT2A (0.65) KMT2AMEN1ALDH1A1KDM4ETHRB
SCHEMBL27774897 0.81 KMT2A (0.65) KMT2AMEN1ALDH1A1KDM4ETHRB
SCHEMBL887129 0.80 HTT (0.54) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL15019983 0.80 KMT2A (0.77) KMT2AMEN1ALDH1A1KDM4ETHRB
SCHEMBL6848608 0.80 KMT2A (0.63) KMT2AMEN1ALDH1A1KDM4ETHRB

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 8 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
EP-0460679-B1 Endothelin antagonistic peptide derivatives BANYU PHARMA CO LTD (JP) 1998-10-28 EP disclosed
US-5691315-A CARDIOVASCULAR DISORDERS; VASODILATOR; BRONCHODILATOR BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US 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
US-5470833-A Vasodilators, bronchodilators BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-11-28 US disclosed
US-5444152-A Vasolidator or bronchodilator BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-22 US disclosed
EP-0555537-A2 Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-18 EP disclosed