SCHEMBL8530790

SCHEMBL8530790

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.36
MEN1 O00255 3/20 0.36
NR4A2 P43354 3/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
P2RX4 Q99571 1/20 0.32
GPR3 P46089 1/20 0.31

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
SCHEMBL8532909 0.83 LMNA (0.37) NR4A2KDM4EALDH1A1LMNAMAPT
SCHEMBL8530795 0.81 MEN1 (0.39) KMT2AMEN1NR4A2KDM4EALDH1A1
SCHEMBL8527729 0.77 POLB (0.33) KMT2AMEN1NR4A2KDM4EALDH1A1
SCHEMBL8527744 0.73 NR4A2 (0.38) KMT2AMEN1NR4A2SMN1; SMN2LMNA
SCHEMBL788704 0.69 GPR3 (0.37) KMT2AMEN1NR4A2KDM4EALDH1A1
SCHEMBL8076272 0.68 KMT2A (0.67) KMT2AMEN1NR4A2KDM4EALDH1A1
SCHEMBL4603995 0.67 NPSR1 (0.57) SMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL315328 0.66 GPR84 (0.55) KMT2AMEN1NR4A2KDM4EALDH1A1
SCHEMBL8531617 0.65 NR4A2 (0.37) KMT2AMEN1NR4A2KDM4EALDH1A1
SCHEMBL4604311 0.65 CNR2 (0.55) KMT2AALDH1A1SMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP disclosed