Sugi Predict

Sugi Predict / Compounds / SCHEMBL1459969

SCHEMBL1459969

SCHEMBL1459969

CC(C)c1cccc(C(C)C)c1C(=N)C(=N)c1c(C(C)C)cccc1C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 3/20 0.54
▸ GABRG2 P18507 2/20 0.54
▸ GABRB3 P28472 2/20 0.54
▸ GABRB2 P47870 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ FAAH O00519 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ GABRB1 P18505 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ SLC6A2 P23975 1/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ GABRA5 P31644 1/20 0.54
▸ GABRA3 P34903 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ GABRA2 P47869 1/20 0.54

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
SCHEMBL29162875 0.83 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL8472584 0.81 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL17669770 0.81 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL28882532 0.78 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL2722420 0.77 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL1685285 0.76 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL3687036 0.74 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL6637397 0.73 FABP3 (0.59) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL14825520 0.73 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRB2LMNA
Bromide SCHEMBL18426695 0.73 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112142617-B Method for synthesizing alpha, beta-unsaturated alkynylamide compound by oxidative carbonylation 中国科学院兰州化学物理研究所 2021-10-26 — — CN claimed
CN-112142617-A Method for synthesizing alpha, beta-unsaturated alkynylamide compound by oxidative carbonylation 中国科学院兰州化学物理研究所 2020-12-29 — — CN claimed
CN-117120401-A Oligomerization process comprising a step of recycling pre-cooled solvent IFP 新能源公司 2023-11-24 — — CN disclosed
CN-116685395-A Gas/liquid oligomerization reactor comprising a central tube IFP 新能源公司 2023-09-01 — — CN disclosed
CN-110891926-B Oligomerization process using vortexes IFP 新能源公司 2023-08-04 — — CN disclosed
CN-116390807-A Oligomerization process using gaseous headspace recycle IFP 新能源公司 2023-07-04 — — CN disclosed
CN-114761114-A Gas/liquid oligomerization reactor comprising transverse internals IFP 新能源公司 2022-07-15 — — CN disclosed
CN-114761118-A Gas/liquid oligomerization reactor with continuous zones of varying diameter IFP 新能源公司 2022-07-15 — — CN disclosed
CN-114174246-A Oligomerization process with gaseous headspace recycle IFP 新能源公司 2022-03-11 — — CN disclosed
CN-112142617-B Method for synthesizing alpha, beta-unsaturated alkynylamide compound by oxidative carbonylation 中国科学院兰州化学物理研究所 2021-10-26 — — CN disclosed
CN-112142617-A Method for synthesizing alpha, beta-unsaturated alkynylamide compound by oxidative carbonylation 中国科学院兰州化学物理研究所 2020-12-29 — — CN disclosed
EP-2473485-A1 PROCESS FOR PREPARING 1-PHENYLPYRAZOLES BASF SE (DE) 2012-07-11 — — EP disclosed
WO-2011026937-A1 PROCESS FOR PREPARING 1-PHENYLPYRAZOLES BASF SE (DE) 2011-03-10 — — WO disclosed