SCHEMBL8530588

SCHEMBL8530588

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
HTT P42858 3/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CFD P00746 6/20 0.39
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 4/20 0.37
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ELANE P08246 1/20 0.36

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
SCHEMBL887129 0.81 HTT (0.54) KDM4EHTTKMT2AMEN1POLB
SCHEMBL12481379 0.81 KDM4E (0.41) KDM4EHTTKMT2AMEN1CFD
SCHEMBL8530590 0.79 TFPI2 (0.49) KDM4EHTTKMT2AMEN1POLB
SCHEMBL21725009 0.79 KMT2A (0.49) KDM4EKMT2AMEN1POLBSMN1; SMN2
SCHEMBL6956957 0.79 KDM4E (0.40) KDM4ECFDALDH1A1MAPT
SCHEMBL12479862 0.78 ALDH1A1 (0.48) KDM4EKMT2AMEN1POLBSMN1; SMN2
SCHEMBL8528867 0.77 KMT2A (0.43) KDM4EKMT2AMEN1POLBSMN1; SMN2
SCHEMBL8076272 0.77 KMT2A (0.67) KDM4EKMT2AMEN1POLBSMN1; SMN2
SCHEMBL19159440 0.77 CFD (0.47) KDM4EKMT2AMEN1CFDPOLB
SCHEMBL13967293 0.77 SMN1; SMN2 (0.41) KDM4EHTTKMT2AMEN1CFD

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-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