SCHEMBL5799577

SCHEMBL5799577

NC(=O)c1ccc2[nH]ncc2c1.NC(=O)c1ccc2[nH]ncc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.63
▸ CTNNB1 P35222 6/20 0.59
▸ WNT3A P56704 6/20 0.59
▸ ROCK2 O75116 3/20 0.55
▸ ROCK1 Q13464 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ MAOB P27338 3/20 0.52
▸ NPC1 O15118 2/20 0.51
▸ PRKD3 O94806 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ RPS6KB1 P23443 1/20 0.51

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
SCHEMBL1419814 1.00 AR (0.63) ARCTNNB1WNT3AROCK2ROCK1
SCHEMBL29949712 1.00 AR (0.63) ARCTNNB1WNT3AROCK2ROCK1
Hydrochloric Acid SCHEMBL14994256 0.98 AR (0.61) ARCTNNB1WNT3AROCK2ROCK1
Hydrochloric Acid SCHEMBL30177200 0.98 AR (0.61) ARCTNNB1WNT3AROCK2ROCK1
Trifluoroacetic Acid SCHEMBL18108734 0.89 AR (0.54) ARCTNNB1WNT3AROCK2ROCK1
Trifluoroacetic Acid SCHEMBL18108738 0.89 AR (0.54) ARCTNNB1WNT3AROCK2ROCK1
Urethane SCHEMBL5780178 0.86 CTNNB1 (0.55) ARCTNNB1WNT3AROCK2ROCK1
SCHEMBL29887527 0.86 AR (0.63) ARKDM4EMEN1ALDH1A1MAPT
SCHEMBL475069 0.86 AR (0.63) ARKDM4EMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL31173861 0.84 AR (0.61) ARKDM4EMEN1ALDH1A1MAPT

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-1618093-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS Signal Pharmaceuticals LLC (US) 2006-01-25 — — EP disclosed
WO-2004094388-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2004-11-04 — — WO disclosed
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