SCHEMBL13513367

SCHEMBL13513367

Bc1cc(S(=O)(=O)N(C)[C@@H]2CCCc3c2cnn3CC(=O)OCC)cnc1Oc1cc(Cl)ccc1Cl

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.32
SCN9A Q15858 2/20 0.32
MAPK14 Q16539 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
GPBAR1 Q8TDU6 4/20 0.30
KMT2A Q03164 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL13513364 0.94 KCNJ6 (0.33) F10SCN9AMAPK14SMN1; SMN2L3MBTL1
SCHEMBL13513365 0.92 L3MBTL1 (0.31) SMN1; SMN2L3MBTL1TSHR
SCHEMBL733848 0.92 KMT2A (0.33) F10SCN9AMAPK14SMN1; SMN2L3MBTL1
SCHEMBL733847 0.92 KMT2A (0.33) F10SCN9AMAPK14SMN1; SMN2L3MBTL1
SCHEMBL13513373 0.89 GRIN2B (0.32) SCN9AL3MBTL1
SCHEMBL732288 0.86 KMT2A (0.33) F10SCN9AMAPK14SMN1; SMN2L3MBTL1
SCHEMBL732289 0.86 KMT2A (0.33) F10SCN9AMAPK14SMN1; SMN2L3MBTL1
SCHEMBL13513379 0.86 POLB (0.34) SCN9AL3MBTL1GAANPSR1
SCHEMBL13513375 0.86 XDH (0.34) MAPK14SMN1; SMN2L3MBTL1
SCHEMBL13513374 0.85 SCN9A (0.34) SCN9ASMN1; SMN2KMT2ATSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010006944-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO disclosed