SCHEMBL13196451

SCHEMBL13196451

O=C1N(c2ccccc2Cl)c2ccc(S(=O)(=O)c3ccccc3)cc2C12OCCO2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
CNR2 P34972 1/20 0.36
PKM P14618 2/20 0.36
GAA P10253 1/20 0.36
ANPEP P15144 1/20 0.36
TSHR P16473 2/20 0.35
THRB P10828 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PGR P06401 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL13196410 0.89 CYP3A4 (0.42) ALDH1A1SMN1; SMN2L3MBTL1POLBLMNA
SCHEMBL13196555 0.87 CRHBP (0.40) ALDH1A1SMN1; SMN2LMNAPKMGAA
SCHEMBL2784556 0.86 PKM (0.41) ALDH1A1SMN1; SMN2L3MBTL1POLBLMNA
SCHEMBL13196449 0.86 POLB (0.41) ALDH1A1SMN1; SMN2L3MBTL1POLBLMNA
SCHEMBL2780892 0.82 CNR2 (0.44) ALDH1A1SMN1; SMN2L3MBTL1POLBLMNA
SCHEMBL2783111 0.82 POLB (0.48) ALDH1A1SMN1; SMN2POLBLMNACNR2
SCHEMBL2780780 0.82 PKM (0.38) ALDH1A1SMN1; SMN2L3MBTL1POLBLMNA
SCHEMBL2782914 0.80 ALDH1A1 (0.43) ALDH1A1L3MBTL1POLBLMNACNR2
SCHEMBL2782810 0.80 CNR2 (0.39) ALDH1A1L3MBTL1POLBLMNACNR2
SCHEMBL2780358 0.78 CNR2 (0.39) ALDH1A1SMN1; SMN2L3MBTL1POLBLMNA

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-2010090680-A1 SUBSTITUTED OXINDOLE CB2 AGONISTS WYETH LLC (US) 2010-08-12 WO disclosed