SCHEMBL21439587

SCHEMBL21439587

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.47
▸ MAOB P27338 5/20 0.46
▸ GAA P10253 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ PSMB1 P20618 1/20 0.42
▸ PSMB5 P28074 1/20 0.42
▸ PSMB2 P49721 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ PARP10 Q53GL7 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL21439460 0.84 MAOB (0.44) PPARAMAOBGAAL3MBTL1PSMB1
SCHEMBL16561598 0.84 GAA (0.54) PPARAMAOBGAAL3MBTL1PSMB1
SCHEMBL31747364 0.83 PARP10 (0.60) MAOBL3MBTL1PARP10PRSS1
SCHEMBL21439344 0.81 LSS (0.55) MAOBGAAL3MBTL1LMNAMAPT
SCHEMBL24000908 0.81 PKM (0.61) L3MBTL1TSHRTP53
SCHEMBL12804425 0.79 CLK1 (0.49) PPARAMAOBGAAL3MBTL1LMNA
SCHEMBL8170794 0.78 TDP1 (0.50) MAOBGAAL3MBTL1CYP3A4TSHR
SCHEMBL5385295 0.78 GAA (0.66) PPARAGAAL3MBTL1LMNAPARP10
SCHEMBL11592057 0.78 L3MBTL1 (0.58) GAAL3MBTL1LMNACYP1A2CYP3A4
SCHEMBL5811176 0.78 GAA (0.70) PPARAGAAL3MBTL1LMNAPARP10

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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