SCHEMBL8527729

SCHEMBL8527729

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PTK2B Q14289 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
KDM4E B2RXH2 3/20 0.32
CREBBP Q92793 1/20 0.31
STAT3 P40763 1/20 0.31
ALDH1A1 P00352 2/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA5A P35218 1/20 0.30
GPR3 P46089 1/20 0.30
NR4A2 P43354 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
IMPDH2 P12268 1/20 0.30
ACP3 P15309 1/20 0.30
FABP3 P05413 1/20 0.30
FABP4 P15090 1/20 0.30
FABP5 Q01469 1/20 0.30

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
SCHEMBL8527733 0.78 MEN1 (0.44) POLBKMT2AMEN1KDM4EALDH1A1
SCHEMBL8530790 0.77 KMT2A (0.36) L3MBTL1KMT2AMEN1KDM4EALDH1A1
SCHEMBL8526982 0.74 GGPS1 (0.38) L3MBTL1KMT2AMEN1KDM4ECREBBP
SCHEMBL8532909 0.74 LMNA (0.37) POLBL3MBTL1KDM4EALDH1A1NR4A2
SCHEMBL8527737 0.71 S1PR1 (0.43) KMT2ACREBBPNPSR1ACP3
SCHEMBL8927740 0.70 GPR3 (0.36) POLBL3MBTL1KMT2AMEN1KDM4E
SCHEMBL887129 0.68 HTT (0.54) POLBKMT2AMEN1KDM4ECREBBP
SCHEMBL8530588 0.68 KDM4E (0.41) POLBKMT2AMEN1KDM4EALDH1A1
SCHEMBL30660066 0.67 POLB (0.45) POLBL3MBTL1KMT2AMEN1KDM4E
SCHEMBL788310 0.67 LMNA (0.40) L3MBTL1KMT2AMEN1KDM4ECA2

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