SCHEMBL2660085

SCHEMBL2660085

CCOC(=O)c1cc2cc(OCCCOC)cc(NS(=O)(=O)c3ncccc3C)c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
SLC40A1 Q9NP59 2/20 0.38
LMNA P02545 5/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP2 P08253 3/20 0.37
MMP13 P45452 3/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.37
CDK1 P06493 1/20 0.36

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
SCHEMBL2659355 0.91 MMP2 (0.38) POLBSLC40A1LMNAHPGDKDM4E
SCHEMBL2659714 0.91 SLC40A1 (0.38) POLBSLC40A1LMNAHPGDALDH1A1
SCHEMBL2660421 0.91 LMNA (0.45) POLBSLC40A1LMNAHPGDKDM4E
SCHEMBL2659926 0.87 SLC40A1 (0.41) POLBSLC40A1LMNAHPGDKDM4E
SCHEMBL2659522 0.86 SLC40A1 (0.38) POLBSLC40A1LMNAHPGDALDH1A1
SCHEMBL2659586 0.85 MAPT (0.36) POLBSLC40A1LMNAHPGDALDH1A1
SCHEMBL2661711 0.85 POLB (0.38) POLBSLC40A1LMNAHPGDKDM4E
SCHEMBL2660187 0.84 POLB (0.38) POLBSLC40A1LMNAHPGDKDM4E
SCHEMBL2660371 0.84 POLB (0.37) POLBSLC40A1LMNAHPGDKDM4E
SCHEMBL2659240 0.83 POLB (0.50) POLBSLC40A1LMNAHPGDKDM4E

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