SCHEMBL9101213

SCHEMBL9101213

COc1cc(CC(=O)c2ccsc2)c(NC(=O)O)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
TDP1 Q9NUW8 3/20 0.39
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
DAO P14920 1/20 0.38
HTR1A P08908 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
NSD2 O96028 1/20 0.36

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
SCHEMBL9105339 0.89 KMT2A (0.45) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL4568384 0.87 MEN1 (0.44) KMT2AMEN1TDP1HTR1AALDH1A1
SCHEMBL10179873 0.82 MCHR1 (0.42) KMT2AMEN1LCKFYNDAO
SCHEMBL6117616 0.77 KMT2A (0.38) KMT2AMEN1TDP1LCKFYN
SCHEMBL4568376 0.73 MEN1 (0.43) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL4568370 0.69 SMN1; SMN2 (0.38) KMT2AMEN1TDP1LCKFYN
SCHEMBL8761820 0.69 USP2 (0.38) KMT2AMEN1ALDH1A1POLBL3MBTL1
SCHEMBL4568025 0.69 KMT2A (0.38) KMT2AMEN1MAPTPOLBL3MBTL1
SCHEMBL6118174 0.69 MAPT (0.56) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL9103819 0.68 LMNA (0.42) KMT2AMEN1ALDH1A1MAPTKDM4E

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
EP-2460791-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-06-06 EP disclosed