SCHEMBL2668751

SCHEMBL2668751

COCn1c(C(=O)O)cc2cccc(N(C)S(=O)(=O)c3cccs3)c21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CCR2 P41597 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 3/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
NR1H3 Q13133 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL13312559 0.91 LMNA (0.39) RAB9ALMNAHPGDALDH1A1GAA
SCHEMBL1653090 0.89 TSHR (0.39) RAB9ALMNAALDH1A1GAATSHR
SCHEMBL1653451 0.89 RAB9A (0.38) RAB9ALMNAHPGDALDH1A1GAA
SCHEMBL13222098 0.85 ALDH1A1 (0.38) RAB9ALMNAHPGDALDH1A1GAA
SCHEMBL1653243 0.85 POLB (0.40) RAB9ALMNAHPGDALDH1A1GAA
SCHEMBL13348480 0.83 ALDH1A1 (0.36) RAB9ALMNAHPGDALDH1A1GAA
SCHEMBL1653085 0.81 TSHR (0.39) RAB9ALMNAHPGDALDH1A1GAA
SCHEMBL2659384 0.80 ALDH1A1 (0.48) LMNAHPGDALDH1A1GAAKMT2A
SCHEMBL2660445 0.80 CCR2 (0.36) RAB9AALDH1A1KMT2ACCR2SMN1; SMN2
SCHEMBL1653089 0.79 TSHR (0.39) RAB9ALMNAALDH1A1GAATSHR

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-2508524-A2 Indole compound Takeda Pharmaceutical Company Limited (JP) 2012-10-10 EP disclosed
WO-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed