SCHEMBL8290355

SCHEMBL8290355

CCOC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CC(C)(C)NC2(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 1.00
MEN1 O00255 4/20 1.00
KDM4E B2RXH2 3/20 1.00
UBE2N P61088 2/20 0.75
RXFP1 Q9HBX9 1/20 0.75
ALDH1A1 P00352 4/20 0.68
TDP1 Q9NUW8 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
LMNA P02545 2/20 0.61
THRB P10828 1/20 0.61
POLB P06746 3/20 0.57
PPARG P37231 1/20 0.51
NR2E3 Q9Y5X4 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
HTT P42858 1/20 0.50

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
SCHEMBL8290333 0.81 ALDH1A1 (1.00) KMT2AMEN1KDM4EUBE2NRXFP1
SCHEMBL4090933 0.78 KMT2A (0.66) KMT2AMEN1KDM4EUBE2NRXFP1
SCHEMBL18300711 0.78 KMT2A (0.65) KMT2AMEN1KDM4EUBE2NRXFP1
SCHEMBL15347034 0.77 POLB (0.81) KDM4EALDH1A1LMNATHRBPOLB
SCHEMBL18300329 0.77 KMT2A (0.64) KMT2AMEN1KDM4EUBE2NRXFP1
SCHEMBL18300584 0.76 ALDH1A1 (0.68) KMT2AMEN1KDM4EUBE2NRXFP1
SCHEMBL18309615 0.76 ALDH1A1 (0.68) KMT2AMEN1KDM4EUBE2NRXFP1
SCHEMBL34468492 0.76 POLB (0.68) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL8288732 0.76 POLB (0.78) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL34468594 0.76 POLB (0.62) KMT2AMEN1KDM4EALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 WO disclosed