SCHEMBL21439344

SCHEMBL21439344

C#CCCCOc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 2/20 0.55
▸ SRD5A2 P31213 2/20 0.54
▸ GAA P10253 2/20 0.49
▸ MAPT P10636 4/20 0.49
▸ MAOB P27338 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ DRD2 P14416 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL10737114 0.83 LSS (0.57) LSSSRD5A2GAAMAPTMAOB
SCHEMBL9361185 0.82 LSS (0.62) LSSSRD5A2GAAMAPTMAOB
SCHEMBL10740990 0.82 LSS (0.62) LSSSRD5A2GAAMAPTMAOB
SCHEMBL21439587 0.81 PPARA (0.47) GAAMAPTMAOBLMNAL3MBTL1
SCHEMBL5817865 0.81 MAPK1 (0.62) LSSSRD5A2GAAMAPTLMNA
SCHEMBL16561598 0.80 GAA (0.54) SRD5A2GAAMAPTMAOBLMNA
SCHEMBL38644 0.80 SRD5A2 (0.60) LSSSRD5A2GAAMAPTMAOB
SCHEMBL21439460 0.78 MAOB (0.44) GAAMAPTMAOBLMNAL3MBTL1
SCHEMBL9365160 0.77 LSS (0.73) LSSGAAMAPTCRHBPCRHR2
SCHEMBL24000908 0.77 PKM (0.61) L3MBTL1POLBMAPK1

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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