SCHEMBL2660972

SCHEMBL2660972

CCOC(=O)c1cc2c(Cl)ccc(NS(=O)(=O)c3sccc3C)c2n1COC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
TSHR P16473 5/20 0.38
MAPT P10636 4/20 0.38
POLB P06746 4/20 0.38
ALDH1A1 P00352 3/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MCL1 Q07820 1/20 0.35
TP53 P04637 1/20 0.34
PIK3CA P42336 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL2660014 0.92 KDM4E (0.40) KDM4ETSHRMAPTPOLBALDH1A1
SCHEMBL1653070 0.86 MEN1 (0.45) TSHRMAPTPOLBALDH1A1LMNA
SCHEMBL2659841 0.84 KDM4E (0.40) KDM4ETSHRMAPTPOLBALDH1A1
SCHEMBL1653442 0.79 MEN1 (0.46) TSHRMAPTPOLBALDH1A1LMNA
SCHEMBL1653233 0.75 MEN1 (0.45) KDM4ETSHRMAPTPOLBALDH1A1
SCHEMBL1653818 0.74 KMT2A (0.41) KDM4ETSHRMAPTPOLBALDH1A1
SCHEMBL1653065 0.71 PKM (0.37) KDM4ETSHRMAPTPOLBALDH1A1
SCHEMBL13203225 0.71 PKM (0.39) KDM4ETSHRMAPTPOLBALDH1A1
SCHEMBL1654094 0.70 ALDH1A1 (0.50) TSHRMAPTPOLBALDH1A1LMNA
SCHEMBL15888939 0.68 KDM4E (0.38) KDM4ETSHRMAPTPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074119-A1 INDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed