SCHEMBL28819583

SCHEMBL28819583

COc1ccc(C(=O)c2cc(CC(=O)NCC(C)(C)N)c(-c3ccc(Cl)c(Cl)c3)s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
EIF4E P06730 1/20 0.38
OPRD1 P41143 1/20 0.38
MAPT P10636 4/20 0.37
KDM4E B2RXH2 2/20 0.37
PKM P14618 1/20 0.37
RCE1 Q9Y256 1/20 0.37
IKBKB O14920 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
RPA1 P27694 3/20 0.35
HPGD P15428 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL15546529 0.87 MEN1 (0.49) KMT2AMEN1RXFP1EIF4EOPRD1
SCHEMBL15546009 0.85 KMT2A (0.66) KMT2AMEN1RXFP1EIF4EOPRD1
SCHEMBL15547138 0.85 MEN1 (0.47) KMT2AMEN1RXFP1EIF4EMAPT
SCHEMBL15547477 0.84 KMT2A (0.48) KMT2AMEN1RXFP1EIF4EOPRD1
Hydrochloric Acid SCHEMBL16893531 0.84 KMT2A (0.48) KMT2AMEN1RXFP1EIF4EOPRD1
SCHEMBL16893498 0.81 KMT2A (0.44) KMT2AMEN1RXFP1EIF4EOPRD1
SCHEMBL15545547 0.81 KMT2A (0.49) KMT2AMEN1RXFP1EIF4EOPRD1
SCHEMBL18035674 0.81 KMT2A (0.47) KMT2AMEN1RXFP1EIF4EOPRD1
SCHEMBL16893474 0.80 MEN1 (0.52) KMT2AMEN1RXFP1MAPTKDM4E
SCHEMBL18035703 0.80 KMT2A (0.46) KMT2AMEN1RXFP1EIF4EOPRD1

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
CN-104718200-A Thiophene derivatives used in the treatment of diabetes METABRAIN RES 2015-06-17 CN claimed