SCHEMBL9105339

SCHEMBL9105339

COc1cc(CC(=O)c2ccsc2)c(NC(=O)O)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
SHMT2 P34897 1/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
S1PR2 O95136 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL9101213 0.89 KMT2A (0.49) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10179873 0.81 MCHR1 (0.42) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL9103819 0.80 LMNA (0.42) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL9105929 0.78 MAPK1 (0.50) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6118214 0.77 HTR1A (0.34) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4568384 0.77 MEN1 (0.44) KMT2AMEN1ALDH1A1SMN1; SMN2TDP1
SCHEMBL4324973 0.70 KDM4E (0.68) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6117825 0.69 KDM4E (0.54) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL9101460 0.69 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6117616 0.69 KMT2A (0.38) KMT2AMEN1SMN1; SMN2TDP1NPC1

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