SCHEMBL545236

SCHEMBL545236

COCNc1nc(N)nc(N)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
TP53 P04637 2/20 0.35
GLA P06280 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR7 P34969 5/20 0.34
HTR1A P08908 3/20 0.34
DRD2 P14416 3/20 0.34
HTR2A P28223 3/20 0.34
HTR6 P50406 3/20 0.34
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 3/20 0.33
KDM4E B2RXH2 1/20 0.33
JAK2 O60674 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 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
SCHEMBL4444984 0.95 NPC1 (0.35) CA1CA2CA9NPC1RAB9A
Formaldehyde SCHEMBL5702331 0.94 CA1 (0.38) CA1CA2CA9NPC1RAB9A
Lindane SCHEMBL10696379 0.90 CA1 (0.33) CA1CA2CA9NPC1RAB9A
SCHEMBL11373757 0.89 CA1 (0.35) CA1CA2CA9NPC1RAB9A
SCHEMBL9512208 0.86 NPC1 (0.34) CA1CA2CA9NPC1RAB9A
SCHEMBL13413190 0.84 NPC1 (0.32) NPC1RAB9ATP53GLAMAPK1
SCHEMBL122723 0.83 CYP1A2 (0.39) POLBALDH1A1L3MBTL1GAAHTT
SCHEMBL10940908 0.82 CA1 (0.36) CA1CA2CA9NPC1RAB9A
SCHEMBL4892935 0.82
SCHEMBL3105245 0.81 CA1 (0.39) CA1CA2CA9NPC1RAB9A

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 1602 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113061293-B Rubber composition and tire 固特异轮胎和橡胶公司 2024-02-02 CN claimed
CN-117298331-A Modified trehalose-based hydrogel for wound repair 上海迪派生物科技有限公司 2023-12-29 CN claimed
CN-117264511-A Water-based coating for mirror aluminum coil and preparation method thereof 广东歌丽斯化学有限公司 2023-12-22 CN claimed
CN-117264527-A Litchi texture hand feeling roller coating finishing paint and preparation method thereof 广东歌丽斯化学有限公司 2023-12-22 CN claimed
CN-116802219-A Self-polymerizable phenolic resins SI集团有限公司 2023-09-22 CN claimed
CN-116622133-A Rubber composition of tire triangular rubber, mixing method and tire 中策橡胶集团股份有限公司 2023-08-22 CN claimed
US-11629207-B2 Rubber composition and a tire THE GOODYEAR TIRE & RUBBER COMPANY 2023-04-18 US claimed
CN-114604039-A Tire comprising hydrothermally carbonized lignin 诺基安伦卡特股份有限公司 2022-06-10 CN claimed
CN-111240153-B Hard mask composition, hard mask and method for forming pattern 厦门恒坤新材料科技股份有限公司 2022-05-20 CN claimed
CN-111290216-B Hard mask composition, hard mask and method for forming pattern 厦门恒坤新材料科技股份有限公司 2022-05-20 CN claimed
EP-0031241-A2 An unsaturated melamine condensate, a method of preparing same, a high solids air-drying coating composition containing unsaturated melamine condensate and an article coated therewith MONSANTO COMPANY (US) 1981-07-01 EP claimed
EP-0029597-A1 An aqueous thermosetting acrylic coating composition, articles coated therewith, and process for preparing said coated articles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-03 EP claimed
US-4256795-A A SUPPORTED LABEL COMPRISING A CURABLE LAYER OF A POLYESTERURETHANE BASED ON A LINEAR POLYESTER AND A DIPHENYL DIISOCYANATE, AN ACID CATALYST, AND A CURING AGENT; MARKING TEXTILES POLYMARK CORPORATION (US) 1981-03-17 US claimed
US-4164488-A Aqueous thermosetting acrylic enamel E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-08-14 US claimed
US-4092455-A Use of methylenebis- and thiobisnaphthols as promoters in tire cord adhesion to rubber AMERICAN CYANAMID COMPANY (US) 1978-05-30 US claimed
US-4053682-A FOR POLYAMIDEESTER COPOLYMERS, PRIMER OF ETHERIFIED METHYLOLATED MELAMINE MONSANTO COMPANY (US) 1977-10-11 US claimed
US-4042478-A Process for electrocoating an aqueous composition of the reaction product of an epoxy ester resin and a maleinized drying oil blended with a cross-linking agent E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-08-16 US claimed
US-4025455-A OIL IN WATER EMULSION, OIL SOLUBLE POLYFUNCTIONAL ISOCYANATE THE MEAD CORPORATION (US) 1977-05-24 US claimed
US-4008293-A ACRYLIC COPOLYMER, AMINOPLAST, BINDER PPG INDUSTRIES, INC. (US) 1977-02-15 US claimed
US-3965058-A AMINE-ALDEHYDE THERMOSETTING RESIN PPG INDUSTRIES, INC. (US) 1976-06-22 US claimed