SCHEMBL476495

SCHEMBL476495

C=CCn1c(N)cc(=O)n(CC=C)c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.56
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 2/20 0.42
ADORA2B P29275 3/20 0.41
ADORA2A P29274 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
APLNR P35414 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL28968573 0.90 CYP3A4 (0.48) CYP3A4KMT2ASMN1; SMN2GAAADORA2B
Aminometradine SCHEMBL309849 0.90 CYP3A4 (0.48) CYP3A4KMT2ASMN1; SMN2GAAADORA2B
SCHEMBL5613156 0.89 CYP3A4 (0.44) CYP3A4KMT2ASMN1; SMN2GAAADORA2B
SCHEMBL3983345 0.84 GAA (0.43) CYP3A4KMT2ASMN1; SMN2GAAADORA2B
SCHEMBL4189223 0.82 HPGD (0.46) CYP3A4KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL10897138 0.81 CYP3A4 (0.42) CYP3A4KMT2ASMN1; SMN2GAAADORA2B
SCHEMBL5613154 0.77 CYP3A4 (0.39) CYP3A4KMT2ASMN1; SMN2GAAADORA2B
SCHEMBL476120 0.77 CYP3A4 (0.56) CYP3A4KMT2ASMN1; SMN2GAAADORA2B
SCHEMBL14128779 0.77 CYP3A4 (0.56) CYP3A4KMT2ASMN1; SMN2GAAADORA2B
SCHEMBL476124 0.77 CYP3A4 (0.56) CYP3A4KMT2ASMN1; SMN2GAAADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117117325-A Lithium ion battery electrolyte and lithium ion battery 江苏天鹏电源有限公司 2023-11-24 CN claimed
WO-2020148982-A1 CHLORINE-CONTAINING RESIN COMPOSITION, AND FORMED ARTICLE THEREOF 堺化学工業株式会社 2020-07-23 WO claimed
US-8506854-B2 Stabilizer system for halogenated polymers NABALTEC AG (DE) 2013-08-13 US claimed
CN-101809075-B Stabilizer system for halogenated polymers NABALTEC AG 2013-04-24 CN claimed
US-20110129628-A1 STABILIZER SYSTEM FOR HALOGENATED POLYMERS NABALTEC AG (DE) 2011-06-02 US claimed
EP-2178959-B1 STABILIZER SYSTEM FOR HALOGENATED POLYMERS NABALTEC AG (DE) 2011-01-19 EP claimed
CN-101809075-A Stabilizer system for halogenated polymers NABALTEC AG 2010-08-18 CN claimed
EP-0108023-B1 PROCESS FOR THE STABILIZATION OF VINYL CHLORIDE POLYMERS RHONE-POULENC CHIMIE (FR) 1986-12-17 EP claimed
JP-11049760-A None JP disclosed
CN-117117325-A Lithium ion battery electrolyte and lithium ion battery 江苏天鹏电源有限公司 2023-11-24 CN disclosed
US-20210347962-A1 COMPOSITIONS COMPRISING ESTOLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BIOSYNTHETIC TECHNOLOGIES, LLC (US) 2021-11-11 US disclosed
WO-2020148982-A1 CHLORINE-CONTAINING RESIN COMPOSITION, AND FORMED ARTICLE THEREOF 堺化学工業株式会社 2020-07-23 WO disclosed
US-20190292350-A1 COMPOSITIONS COMPRISING ESTOLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BIOSYNTHETIC TECHNOLOGIES LLC (US) 2019-09-26 US disclosed
CN-107501807-B A kind of cold lamination film having highly resistance Ultraviolet Oxidation performance and anti-microbial property 浙江越千树数码科技有限公司 2019-08-27 CN disclosed
EP-0039780-B1 DI- OR TRISUBSTITUTED XANTHINES WITH NEUROLEPTIC ACTIVITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM SOCIETE DES PRODUITS NESTLE S.A. (CH) 1985-04-10 EP disclosed
US-4469698-A SEDATIVES, TRANQUILIZERS SOCIETE D'ASSISTANCE TECHNIQUE POUR PRODUITS NESTLE S.A. (CH) 1984-09-04 US disclosed
EP-0108023-A1 Process for the stabilization of vinyl chloride polymers RHONE-POULENC CHIMIE (FR) 1984-05-09 EP disclosed
EP-0039780-A1 Di- or trisubstituted xanthines with neuroleptic activity, process for their preparation and pharmaceutical preparations containing them SOCIETE DES PRODUITS NESTLE S.A. (CH) 1981-11-18 EP disclosed
US-4120947-A Xanthine compounds and method of treating bronchospastic and allergic diseases COOPER LABORATORIES, INC. (US) 1978-10-17 US disclosed
US-4089959-A Long-acting xanthine bronchodilators and antiallergy agents COOPER LABORATORIES, INC. (US) 1978-05-16 US disclosed