SCHEMBL8530608

SCHEMBL8530608

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
STAT3 P40763 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HTT P42858 2/20 0.46
CYP1A2 P05177 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 1/20 0.46
KAT2B Q92831 1/20 0.44
POLB P06746 1/20 0.43
CREBBP Q92793 1/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL3307790 0.85 KMT2A (0.60) KMT2AMEN1STAT3ALDH1A1KDM4E
SCHEMBL8531486 0.83 IDO1 (0.58) KMT2AMEN1SMN1; SMN2STAT3L3MBTL1
SCHEMBL8532596 0.83 KMT2A (0.49) KMT2AMEN1SMN1; SMN2STAT3CYP3A4
SCHEMBL8531842 0.83 GAA (0.68) KMT2AMEN1SMN1; SMN2HTTRAB9A
SCHEMBL8530610 0.81 KMT2A (0.69) KMT2AMEN1SMN1; SMN2STAT3CYP3A4
SCHEMBL8528830 0.80 SMN1; SMN2 (0.47) KMT2AMEN1SMN1; SMN2STAT3CYP3A4
SCHEMBL8528642 0.80 ALDH1A1 (0.67) KMT2AMEN1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL9703067 0.80 KMT2A (0.48) KMT2AMEN1SMN1; SMN2STAT3CYP3A4
SCHEMBL8530927 0.79 GAA (0.49) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL28555490 0.79 CDC25A (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA

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