SCHEMBL8530610

SCHEMBL8530610

CC(=O)Cn1cc(C)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.69
MEN1 O00255 3/20 0.69
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
SMN1; SMN2 Q16637 6/20 0.50
RAB9A P51151 3/20 0.50
HTT P42858 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
STAT3 P40763 2/20 0.50
CYP1A2 P05177 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 5/20 0.47
RXFP1 Q9HBX9 2/20 0.47
ALDH1A1 P00352 4/20 0.47

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
SCHEMBL3307798 0.86 KMT2A (0.74) KMT2AMEN1HDAC1HDAC2HDAC8
SCHEMBL8531490 0.85 KMT2A (0.68) KMT2AMEN1HDAC1HDAC2HDAC8
SCHEMBL10165370 0.83 KMT2A (0.66) KMT2AMEN1HDAC1HDAC2HDAC8
SCHEMBL10203422 0.83 KMT2A (0.66) KMT2AMEN1HDAC1HDAC2HDAC8
SCHEMBL8531844 0.82 GAA (0.69) KMT2AMEN1HDAC1HDAC2HDAC8
SCHEMBL6224417 0.82 KMT2A (1.00) KMT2AMEN1HDAC1HDAC2HDAC8
SCHEMBL8532599 0.82 KMT2A (0.64) KMT2AMEN1HDAC1HDAC2HDAC8
SCHEMBL8530608 0.81 KMT2A (0.48) KMT2AMEN1SMN1; SMN2RAB9AHTT
SCHEMBL9703067 0.81 KMT2A (0.48) KMT2AMEN1SMN1; SMN2RAB9AHTT
SCHEMBL8528645 0.81 ALDH1A1 (0.71) KMT2AMEN1SMN1; SMN2RAB9ACYP3A4

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 3 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