SCHEMBL8958361

SCHEMBL8958361

CCCCCNc1cc(C)c(S(=O)O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.41
▸ ABL1 P00519 1/20 0.38
▸ GPR84 Q9NQS5 10/20 0.37
▸ PLK1 P53350 3/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ ASAH1 Q13510 1/20 0.35

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
SCHEMBL3400985 0.74 ADRA2A (0.53) ADRA2AALDH1A1ABL1GPR84
SCHEMBL8958469 0.74 HCAR3 (0.39) PLK1EPHX2
SCHEMBL3962294 0.73 ABL1 (0.43) ADRA2AALDH1A1ABL1PLK1
SCHEMBL28700733 0.72 ABL1 (0.55) ADRA2AALDH1A1ABL1GPR84
SCHEMBL8958338 0.71 THRB (0.52) ADRA2AALDH1A1ABL1GPR84PLK1
SCHEMBL8958462 0.71 ADRA2A (0.46) ADRA2AALDH1A1ABL1GPR84EPHX2
SCHEMBL7764821 0.70 ALDH1A1 (0.71) ADRA2AALDH1A1ABL1PLK1EPHX2
SCHEMBL10381587 0.70 ADRA2A (0.50) ADRA2AALDH1A1ABL1GPR84PLK1
SCHEMBL5605010 0.70 ADRA2A (0.50) ADRA2AALDH1A1ABL1GPR84PLK1
SCHEMBL9187399 0.70 GPR84 (0.51) ADRA2AABL1GPR84

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 15 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-0469889-B1 (p-Carbonylaminophenyl)-sulphonyl-nitromethane derivatives ZENECA LTD (GB) 1996-01-17 — — EP disclosed
US-5430060-A Aldose reductase inhibitor ZENECA LIMITED (GB) 1995-07-04 — — US disclosed
EP-0469887-B1 Acetamide derivatives ZENECA LTD (GB) 1994-12-14 — — EP disclosed
US-5270342-A Acetamide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 — — US disclosed
US-5250570-A Aldose reductase inhibitors for controlling side effects of diabetes and galactosemia IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-05 — — US disclosed
EP-0408713-B1 PHENYLSULPHONE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-05-19 — — EP disclosed
US-5189031-A Inhibitor of enzyme aldose reductase, useful in the treatment of certain peripheral effects of diabetes and galactosemia IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-23 — — US disclosed
US-5110808-A Aldose reductase inhibitors; peripheral effects of diabetes and galactosemia IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1992-05-05 — — US 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-0408713-A1 PHENYLSULPHONE DERIVATIVES. ICI PLC (GB) 1991-01-23 — — EP disclosed
WO-1990008761-A1 PHENYLSULPHONE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-09 — — WO disclosed
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