SCHEMBL8958338

SCHEMBL8958338

CCCCCNc1cc(C)cc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
ADRA2A P08913 1/20 0.51
ABL1 P00519 1/20 0.46
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
GPR84 Q9NQS5 6/20 0.41
KCNH3 Q9ULD8 2/20 0.40
DNM2 P50570 1/20 0.40
PLK1 P53350 3/20 0.40
TRPA1 O75762 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
SCHEMBL27893435 0.98 ADRA2A (0.50) THRBADRA2AABL1MAPTALDH1A1
SCHEMBL7998280 0.98 ADRA2A (0.50) THRBADRA2AABL1MAPTALDH1A1
SCHEMBL27482575 0.98 ADRA2A (0.50) THRBADRA2AABL1MAPTALDH1A1
SCHEMBL27520329 0.98 ADRA2A (0.50) THRBADRA2AABL1MAPTALDH1A1
SCHEMBL5605010 0.98 ADRA2A (0.50) THRBADRA2AABL1MAPTALDH1A1
SCHEMBL10381587 0.98 ADRA2A (0.50) THRBADRA2AABL1MAPTALDH1A1
Bromide SCHEMBL27793315 0.96 ADRA2A (0.49) THRBADRA2AABL1MAPTALDH1A1
Bromide SCHEMBL27772305 0.96 ADRA2A (0.49) THRBADRA2AABL1MAPTALDH1A1
Hydrochloric Acid SCHEMBL27500951 0.96 ADRA2A (0.49) THRBADRA2AABL1MAPTALDH1A1
Iodide SCHEMBL27793343 0.96 ADRA2A (0.49) THRBADRA2AABL1MAPTALDH1A1

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 14 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 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
EP-0469888-B1 Amidobenzenes ICI PLC (GB) 1994-09-28 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-0469888-A1 Amidobenzenes IMPERIAL CHEMICAL INDUSTRIES PLC (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