SCHEMBL4424149

SCHEMBL4424149

COc1cccc(N2C(=O)c3ccccc3C2=O)c1OC

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
NR1H3 Q13133 5/20 0.61
ALDH1A1 P00352 3/20 0.53
CASP6 P55212 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
GAA P10253 2/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
NR1H2 P55055 2/20 0.50
POLB P06746 2/20 0.50
MGLL Q99685 1/20 0.49
SCN2A Q99250 1/20 0.48
USP2 O75604 1/20 0.46

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
SCHEMBL29168849 0.86 KMT2A (0.76) KMT2AMEN1NR1H3ALDH1A1CASP6
SCHEMBL30758650 0.86 KMT2A (0.76) KMT2AMEN1NR1H3ALDH1A1CASP6
SCHEMBL27313154 0.76 ALDH1A1 (0.60) KMT2AMEN1NR1H3ALDH1A1KDM4E
SCHEMBL30758585 0.75 ALDH1A1 (0.55) KMT2AMEN1NR1H3ALDH1A1NR1H2
SCHEMBL29168848 0.75 ALDH1A1 (0.55) KMT2AMEN1NR1H3ALDH1A1NR1H2
SCHEMBL2890255 0.74 KMT2A (0.56) KMT2AMEN1NR1H3ALDH1A1CASP6
SCHEMBL17950974 0.74 KMT2A (0.60) KMT2AMEN1NR1H3ALDH1A1CASP6
SCHEMBL4649466 0.73 POLB (0.65) KMT2AMEN1NR1H3ALDH1A1GAA
SCHEMBL7491552 0.72 KDM4E (0.49) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL6968611 0.72 G6PD (0.59) KMT2AMEN1NR1H3ALDH1A1CASP6

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-1746989-A4 METHODS OF USING AND COMPOSITIONS COMPRISING SELECTIVE CYTOKINE INHIBITORY DRUGS FOR THE TREATMENT AND MANAGEMENT OF MYELOPROLIFERATIVE DISEASES CELGENE CORP (US) 2009-07-29 EP disclosed
EP-1746989-A1 METHODS OF USING AND COMPOSITIONS COMPRISING SELECTIVE CYTOKINE INHIBITORY DRUGS FOR THE TREATMENT AND MANAGEMENT OF MYELOPROLIFERATIVE DISEASES CELGENE CORPORATION (US) 2007-01-31 EP disclosed
WO-2005112917-A1 METHODS OF USING AND COMPOSITIONS COMPRISING SELECTIVE CYTOKINE INHIBITORY DRUGS FOR THE TREATMENT AND MANAGEMENT OF MYELOPROLIFERATIVE DISEASES CELGENE CORPORATION (US) 2005-12-01 WO disclosed