SCHEMBL2660116

SCHEMBL2660116

COCCOc1cc(NS(=O)(=O)c2ncccc2C)c2[nH]c(C(=O)N[C@@H](CSCc3ccccc3)C(=O)OC)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
PYGL P06737 2/20 0.36
FTO Q9C0B1 1/20 0.35
ELANE P08246 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
CTNNB1 P35222 1/20 0.34
P2RY12 Q9H244 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
SETD2 Q9BYW2 2/20 0.33
NSD2 O96028 1/20 0.33
TYMS P04818 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL2660687 0.89 SIRT2 (0.39) MAPTPYGLTAS1R3TAS1R1CTNNB1
SCHEMBL2660175 0.83 MAPT (0.35) MAPTLMNATP53THRBSLC40A1
SCHEMBL2660335 0.83 MAPT (0.34) MAPTLMNATP53THRBSLC40A1
SCHEMBL2661032 0.82 MAPT (0.35) MAPTLMNATP53THRBSLC40A1
SCHEMBL2659522 0.82 SLC40A1 (0.38) MAPTLMNATP53THRBSETD2
SCHEMBL2659634 0.81 MAPT (0.34) MAPTLMNATP53THRBSLC40A1
SCHEMBL2660662 0.81 MAPT (0.34) MAPTLMNATP53THRBSETD2
SCHEMBL2659586 0.80 MAPT (0.36) MAPTLMNATP53THRBSETD2
SCHEMBL2660118 0.79 MAPT (0.40) MAPTPYGLFTOELANETAS1R3
SCHEMBL2659714 0.79 SLC40A1 (0.38) MAPTLMNATP53THRBSLC40A1

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