SCHEMBL8958469

SCHEMBL8958469

CCCCCNc1ccc(C)c(S(=O)O)c1C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 3/20 0.39
▸ CNR2 P34972 6/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ PLK1 P53350 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ EPHX2 P34913 2/20 0.34
▸ KDM6B O15054 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ ELANE P08246 1/20 0.33

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
SCHEMBL15934216 0.76 HCAR3 (0.40) HCAR3CNR2CNR1PLK1L3MBTL1
SCHEMBL27542122 0.76 HCAR3 (0.41) HCAR3CNR2CNR1PLK1L3MBTL1
Iodide SCHEMBL27772285 0.74 HCAR3 (0.40) HCAR3CNR2CNR1PLK1L3MBTL1
SCHEMBL8958361 0.74 ADRA2A (0.46) PLK1EPHX2
SCHEMBL15934301 0.71 KDM6B (0.39) HCAR3CNR2CNR1L3MBTL1KDM6B
SCHEMBL9690904 0.71 KDM6B (0.46) HCAR3L3MBTL1KDM6BKDM4C
SCHEMBL27736211 0.71 KDM6B (0.52) HCAR3CNR2CNR1PLK1KDM6B
SCHEMBL10712351 0.71 L3MBTL1 (0.44) HCAR3CNR2CNR1L3MBTL1
SCHEMBL9353248 0.71 L3MBTL1 (0.39) HCAR3CNR2CNR1L3MBTL1EPHX2
SCHEMBL29045180 0.70 TYR (0.47) HCAR3CNR2CNR1PLK1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469889-B1 (p-Carbonylaminophenyl)-sulphonyl-nitromethane derivatives ZENECA LTD (GB) 1996-01-17 — — EP claimed
EP-0469887-B1 Acetamide derivatives ZENECA LTD (GB) 1994-12-14 — — EP claimed
EP-0469888-B1 Amidobenzenes ICI PLC (GB) 1994-09-28 — — EP claimed
EP-0469887-A1 Acetamide derivatives ZENECA LIMITED (GB) 1992-02-05 — — EP claimed
EP-0469888-A1 Amidobenzenes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-05 — — EP claimed
EP-0469889-A1 (p-Carbonylaminophenyl)-sulphonyl-nitromethane derivatives ZENECA LIMITED (GB) 1992-02-05 — — EP claimed
EP-0469889-B1 (p-Carbonylaminophenyl)-sulphonyl-nitromethane derivatives ZENECA LTD (GB) 1996-01-17 — — EP disclosed
EP-0469887-B1 Acetamide derivatives ZENECA LTD (GB) 1994-12-14 — — EP disclosed
EP-0469888-B1 Amidobenzenes ICI PLC (GB) 1994-09-28 — — EP disclosed
EP-0469887-A1 Acetamide derivatives ZENECA LIMITED (GB) 1992-02-05 — — EP disclosed
EP-0469889-A1 (p-Carbonylaminophenyl)-sulphonyl-nitromethane derivatives ZENECA LIMITED (GB) 1992-02-05 — — EP disclosed
EP-0469888-A1 Amidobenzenes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-05 — — EP disclosed
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