SCHEMBL27728682

SCHEMBL27728682

CC(C)N(c1ncnc(N)n1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
ADORA2A P29274 7/20 0.39
ADORA2B P29275 7/20 0.39
ADORA1 P30542 7/20 0.39
ADORA3 P0DMS8 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.37
BCL6 P41182 1/20 0.35
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A2 P23975 1/20 0.33
PDE4A P27815 1/20 0.33
KDR P35968 1/20 0.33
MAPT P10636 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HTT P42858 1/20 0.32
PI4KA P42356 1/20 0.31

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
SCHEMBL28143976 0.96 ALDH1A1 (0.39) ALDH1A1ADORA2AADORA2BADORA1ADORA3
SCHEMBL27380756 0.80 ALDH1A1 (0.39) ALDH1A1ADORA2AADORA2BADORA1ADORA3
SCHEMBL26110169 0.80 ALDH1A1 (0.36) ALDH1A1ADORA2AADORA2BADORA1ADORA3
SCHEMBL29581593 0.76 ALDH1A1 (0.47) ALDH1A1ADORA2AADORA2BADORA1ADORA3
SCHEMBL2491794 0.76 ALDH1A1 (0.47) ALDH1A1ADORA2AADORA2BADORA1ADORA3
SCHEMBL9692146 0.75
SCHEMBL28114494 0.75 GAA (0.37) LMNAGAA
SCHEMBL9019891 0.72 MAPK1 (0.30)
SCHEMBL29582228 0.71 MAPT (0.47) ALDH1A1ADORA2AADORA2BADORA1ADORA3
SCHEMBL5606801 0.71 MAPT (0.47) ALDH1A1ADORA2AADORA2BADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104801345-A Supported type mercury-free catalyst for chloroethylene production with acetylene hydrochlorination method XINJIANG CORPS MODERN GREEN CHLOR ALKALI CHEMICAL ENGINEERING RES CT CO LTD 2015-07-29 CN claimed
CN-113272364-B Silicone-polyacrylate copolymers, sealants including silicone-polyacrylate copolymers, and related methods 美国陶氏有机硅公司 2023-03-24 CN disclosed
CN-113272363-B Silicone-organic copolymers, sealants including silicone-organic copolymers, and related methods 美国陶氏有机硅公司 2023-02-17 CN disclosed
CN-113272362-B Silicone-polyester copolymers, sealants including silicone-polyester copolymers, and related methods 美国陶氏有机硅公司 2022-06-17 CN disclosed
CN-113195594-B Silicone-polycarbonate copolymers, sealants including silicone-polycarbonate copolymers, and related methods 美国陶氏有机硅公司 2022-03-29 CN disclosed
CN-110997757-B Isocyanate-functional silicone-polyether copolymers, silicone-polyether-urethane copolymers formed therewith, sealants including the same, and related methods 美国陶氏有机硅公司 2022-03-08 CN disclosed
CN-110997838-B Silicone-polyether copolymers, sealants including silicone-polyether copolymers, and related methods 美国陶氏有机硅公司 2021-10-01 CN disclosed
CN-110997839-B Silicone-polyether copolymer, method of preparing silicone-polyether copolymer, and sealant including silicone-polyether copolymer 美国陶氏有机硅公司 2021-09-14 CN disclosed
CN-110997840-B Silicone-polyether copolymers, isocyanate-functionalized silicone-polyether copolymers formed therewith, silicone-polyether-urethane copolymers, sealants including the same, and related methods 美国陶氏有机硅公司 2021-09-07 CN disclosed
CN-113272364-A Silicone-polyacrylate copolymers, sealants including silicone-polyacrylate copolymers, and related methods 美国陶氏有机硅公司 2021-08-17 CN disclosed
CN-113272363-A Silicone-organic copolymers, sealants including silicone-organic copolymers, and related methods 美国陶氏有机硅公司 2021-08-17 CN disclosed
CN-113272362-A Silicone-polyester copolymers, sealants including silicone-polyester copolymers, and related methods 美国陶氏有机硅公司 2021-08-17 CN disclosed
CN-113195594-A Silicone-polycarbonate copolymers, sealants including silicone-polycarbonate copolymers, and related methods 美国陶氏有机硅公司 2021-07-30 CN disclosed
CN-113195507-A Multifunctional organosilicon compounds and related methods, compounds, and compositions 美国陶氏有机硅公司 2021-07-30 CN disclosed
CN-104801345-A Supported type mercury-free catalyst for chloroethylene production with acetylene hydrochlorination method XINJIANG CORPS MODERN GREEN CHLOR ALKALI CHEMICAL ENGINEERING RES CT CO LTD 2015-07-29 CN disclosed
CN-101161072-B Compound herbicide composition of monosulfuron ester compounds UNIV NANKAI 2012-04-25 CN disclosed
CN-101161072-A Compounded herbicidal composition of single sulphur ester compounds UNIV NANKAI (CN) 2008-04-16 CN disclosed