SCHEMBL21439460

SCHEMBL21439460

C#CCCCOc1ccc(C(=O)c2ccc(NN)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.44
▸ PPARA Q07869 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAOA P21397 3/20 0.40
▸ PSMB1 P20618 1/20 0.40
▸ PSMB5 P28074 1/20 0.40
▸ PSMB2 P49721 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CYP19A1 P11511 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ LMNA P02545 1/20 0.38

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
SCHEMBL21439587 0.84 PPARA (0.47) MAOBPPARAGAAL3MBTL1MAOA
SCHEMBL16561598 0.80 GAA (0.54) MAOBPPARAGAAL3MBTL1PSMB1
SCHEMBL31747364 0.79 PARP10 (0.60) MAOBL3MBTL1
SCHEMBL21439344 0.78 LSS (0.55) MAOBGAAL3MBTL1MAPTLMNA
SCHEMBL24000908 0.77 PKM (0.61) L3MBTL1
SCHEMBL12804425 0.76 CLK1 (0.49) MAOBPPARAGAAL3MBTL1MAPT
SCHEMBL5385295 0.75 GAA (0.66) PPARAGAAL3MBTL1MAPTLMNA
SCHEMBL12968481 0.74 LMNA (0.57) MAOBL3MBTL1CYP19A1LMNA
SCHEMBL5396306 0.74 LMNA (0.49) MAOBPPARAGAAL3MBTL1PSMB1
SCHEMBL15473278 0.73 L3MBTL1 (0.56) MAOBPPARAL3MBTL1MAPTCYP19A1

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-3774738-A1 INDENE DERIVATIVES USEFUL IN TREATING PAIN AND INFLAMMATION Aquinox Pharmaceuticals (Canada) Inc. (CA) 2021-02-17 — — EP disclosed
WO-2019195777-A1 INDENE DERIVATIVES USEFUL IN TREATING PAIN AND INFLAMMATION AQUINOX PHARMACEUTICALS (CANADA) INC. (CA) 2019-10-10 — — WO disclosed
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