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Sugi Predict / Compounds / SCHEMBL2780191

SCHEMBL2780191

SCHEMBL2780191

COc1ccccc1N1C(=O)C2(OCCCO2)c2cc(S(=O)(=O)c3cccnc3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NAMPT P43490 7/20 0.38
▸ AVPR1B P47901 2/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ HTR6 P50406 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 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
SCHEMBL2782914 0.90 ALDH1A1 (0.43) ALDH1A1KMT2ACNR2SCN9AHTR6
SCHEMBL13196558 0.82 NAMPT (0.39) NAMPTAVPR1BCNR2HTR6POLB
SCHEMBL13196442 0.77 ALDH1A1 (0.41) ALDH1A1NAMPTCNR2POLB
SCHEMBL13196447 0.76 CNR2 (0.37) NAMPTAVPR1BCNR2POLB
SCHEMBL2780892 0.75 CNR2 (0.44) ALDH1A1CNR2HTR6POLB
SCHEMBL13196575 0.74 CNR2 (0.40) ALDH1A1KMT2ACNR2USP2POLB
SCHEMBL2782810 0.73 CNR2 (0.39) ALDH1A1CNR2POLB
SCHEMBL2780358 0.71 CNR2 (0.39) ALDH1A1CNR2POLB
SCHEMBL2782662 0.71 GAA (0.49) ALDH1A1KMT2ANAMPTHTR6POLB
SCHEMBL13196451 0.71 ALDH1A1 (0.39) ALDH1A1CNR2POLB

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