SCHEMBL8893417

SCHEMBL8893417

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(COc1ccc(/C=C3/SC(=O)NC3=O)c3ccccc13)O2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TTR P02766 1/20 0.49
BLM P54132 1/20 0.49
PLA2G1B P04054 1/20 0.49
HTT P42858 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
PTPN1 P18031 11/20 0.46
HPGD P15428 4/20 0.46
TDP1 Q9NUW8 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ESRRA P11474 1/20 0.40

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
SCHEMBL8893422 1.00 KMT2A (0.49) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL13256879 0.89 ESRRA (0.40) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL13256873 0.88 PTPN1 (0.41) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL13256853 0.86 HPGD (0.57) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL7829571 0.86 HPGD (0.57) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL8893199 0.85 MAPT (0.40) KMT2AMEN1PTPN1TDP1
SCHEMBL8895476 0.83 MEN1 (0.36) KMT2AMEN1TDP1
SCHEMBL13256876 0.81 GSK3B (0.40) KMT2AMEN1ALDH1A1TDP1
SCHEMBL7836724 0.80 MEN1 (0.47) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL7134832 0.80 KMT2A (0.41) KMT2AMEN1ALDH1A1POLBKDM4E

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-1997043284-A1 NEW THIAZOLIDINEDIONES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1997-11-20 WO disclosed