SCHEMBL2659772

SCHEMBL2659772

Cc1cccnc1S(=O)(=O)Nc1cccc2cc(C(N)=O)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 11/20 0.46
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
MEN1 O00255 2/20 0.42
NSD2 O96028 2/20 0.42
SETD2 Q9BYW2 1/20 0.42
MAPT P10636 2/20 0.39
NFKBIA P25963 1/20 0.39
RELA Q04206 1/20 0.39
MITF O75030 1/20 0.39
S1PR4 O95977 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
S1PR1 P21453 1/20 0.39
AGTR1 P30556 1/20 0.39
OPRK1 P41145 1/20 0.39
HTT P42858 1/20 0.39
CKS1B P61024 1/20 0.39
SKP2 Q13309 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL2659649 0.91 SLC40A1 (0.45) SLC40A1KMT2ATDP1MEN1NSD2
SCHEMBL2660199 0.90 SLC40A1 (0.46) SLC40A1KMT2ATDP1MEN1NSD2
SCHEMBL2659240 0.86 POLB (0.50) SLC40A1KMT2ATDP1MEN1NSD2
SCHEMBL2662137 0.81 SLC40A1 (0.54) SLC40A1KMT2ATDP1MEN1NFKBIA
SCHEMBL2659586 0.81 MAPT (0.36) SLC40A1KMT2ATDP1MEN1SETD2
SCHEMBL1654857 0.79 TUBB4A (0.48) SLC40A1KMT2ATDP1MEN1MAPT
SCHEMBL2660410 0.77 SLC40A1 (0.46) SLC40A1KMT2ATDP1MEN1NFKBIA
SCHEMBL2660294 0.77 NSD2 (0.37) KMT2AMEN1NSD2
SCHEMBL2660464 0.77 MMP2 (0.49) SLC40A1KMT2ATDP1MEN1NFKBIA
SCHEMBL2659265 0.77 TUBB4A (0.36) SLC40A1KMT2AMEN1NSD2NFKBIA

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