SCHEMBL2660014

SCHEMBL2660014

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 7/20 0.38
POLB P06746 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.37
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
PIK3CA P42336 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
F10 P00742 1/20 0.34

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
SCHEMBL2660972 0.92 KDM4E (0.39) KDM4EKMT2ATSHRPOLBALDH1A1
SCHEMBL2659841 0.88 KDM4E (0.40) KDM4EKMT2ATSHRPOLBALDH1A1
SCHEMBL1653442 0.86 MEN1 (0.46) KMT2ATSHRPOLBALDH1A1MAPT
SCHEMBL1653233 0.78 MEN1 (0.45) KDM4EKMT2ATSHRPOLBALDH1A1
SCHEMBL1653070 0.78 MEN1 (0.45) KMT2ATSHRPOLBALDH1A1MAPT
SCHEMBL15888939 0.75 KDM4E (0.38) KDM4EKMT2ATSHRPOLBALDH1A1
SCHEMBL1654094 0.74 ALDH1A1 (0.50) KMT2ATSHRPOLBALDH1A1MAPT
SCHEMBL12783356 0.73 MEN1 (0.49) KMT2ATSHRALDH1A1MAPTLMNA
SCHEMBL13222081 0.72 KMT2A (0.42) KDM4EKMT2ATSHRPOLBALDH1A1
SCHEMBL1651638 0.71 ALDH1A1 (0.38) KDM4EKMT2ATSHRPOLBALDH1A1

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