SCHEMBL8526982

SCHEMBL8526982

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.38
FDPS P14324 1/20 0.38
ACP3 P15309 1/20 0.38
KAT2B Q92831 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
STAT3 P40763 1/20 0.35
NR4A2 P43354 1/20 0.35
LMNA P02545 2/20 0.35
S1PR1 P21453 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CREBBP Q92793 1/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33

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
SCHEMBL8527737 0.84 S1PR1 (0.43) ACP3KMT2AS1PR1CREBBP
SCHEMBL8526986 0.80 MEN1 (0.55) GGPS1FDPSACP3KMT2AMEN1
SCHEMBL8527744 0.80 NR4A2 (0.38) KAT2BKMT2AMEN1NR4A2LMNA
SCHEMBL8531617 0.77 NR4A2 (0.37) KMT2AMEN1NR4A2LMNAALDH1A1
SCHEMBL8186050 0.77 ASH1L (0.47) KAT2BKMT2AMEN1STAT3NR4A2
SCHEMBL3307790 0.75 KMT2A (0.60) KMT2AMEN1STAT3ALDH1A1KDM4E
SCHEMBL8527729 0.74 POLB (0.33) ACP3KMT2AMEN1STAT3NR4A2
SCHEMBL8527695 0.74 KMT2A (0.40) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL8531486 0.73 IDO1 (0.58) KMT2AMEN1STAT3ALDH1A1KDM4E
SCHEMBL8530608 0.73 KMT2A (0.48) KAT2BKMT2AMEN1STAT3LMNA

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