SCHEMBL17047459

SCHEMBL17047459

O=C=Nc1cccc(N=C=O)c1C=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
NFE2L2 Q16236 4/20 0.46
MAOB P27338 3/20 0.37
CYP19A1 P11511 2/20 0.37
MAOA P21397 2/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
TRPA1 O75762 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPK1 P28482 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC3 O15379 1/20 0.35
TNKS O95271 1/20 0.35
HDAC4 P56524 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 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
SCHEMBL20267366 1.00 CYP3A4 (0.47) CYP3A4NFE2L2MAOBCYP19A1MAOA
SCHEMBL28550981 0.84 TRPA1 (0.42) CYP3A4NFE2L2MAOBCYP19A1MAOA
SCHEMBL11022950 0.81 NFE2L2 (0.46) CYP3A4NFE2L2MAOBCYP19A1MAOA
SCHEMBL11022955 0.81 NFE2L2 (0.46) CYP3A4NFE2L2MAOBCYP19A1MAOA
SCHEMBL7209613 0.80 CYP3A4 (0.42) CYP3A4NFE2L2MAOBCYP19A1MAOA
SCHEMBL28497133 0.75 MAOB (0.48) CYP3A4NFE2L2MAOBMAOAALDH1A1
Benzene SCHEMBL28766229 0.75 CYP3A4 (0.61) CYP3A4MAOAALDH1A1LMNATRPA1
SCHEMBL4599981 0.75 CYP3A4 (0.47) CYP3A4NFE2L2MAOBCYP19A1MAOA
SCHEMBL4599983 0.75 CYP3A4 (0.47) CYP3A4NFE2L2MAOBCYP19A1MAOA
SCHEMBL30657694 0.74 NFE2L2 (0.46) CYP3A4NFE2L2MAOBCYP19A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117203271-A Use of a stabilizer composition for stabilizing halogen-free thermoplastic recycling material, a stabilizer composition, a masterbatch or concentrate, a stabilized plastic composition, a method for stabilizing halogen-free thermoplastic recycling material and use of a composition 弗劳恩霍夫应用研究促进协会 2023-12-08 CN claimed
CN-115003720-B Polyurethane composition with good adhesion to plastics SIKA技术股份公司 2024-08-30 CN disclosed
CN-117203271-A Use of a stabilizer composition for stabilizing halogen-free thermoplastic recycling material, a stabilizer composition, a masterbatch or concentrate, a stabilized plastic composition, a method for stabilizing halogen-free thermoplastic recycling material and use of a composition 弗劳恩霍夫应用研究促进协会 2023-12-08 CN disclosed
EP-3688054-B1 REWORKABLE CROSSLINKED POLYTHIOURETHANES WITH INTRINSIC INJECTABILITY, REPAIRABILITY AND RECYCLABILITY FUND CIDETEC (ES) 2021-11-10 EP disclosed
EP-3688054-A1 REWORKABLE CROSSLINKED POLYTHIOURETHANES WITH INTRINSIC INJECTABILITY, REPAIRABILITY AND RECYCLABILITY Fundación Cidetec (ES) 2020-08-05 EP disclosed
EP-3555203-A1 DISULFIDE-CONTAINING SELF-HEALING POLYMER BLEND Repsol, S.A. (ES) 2019-10-23 EP disclosed
US-20190315906-A1 DISULFIDE-CONTAINING SELF-HEALING POLYMER BLEND REPSOL SA (ES) 2019-10-17 US disclosed
WO-2019063787-A1 REWORKABLE CROSSLINKED POLYTHIOURETHANES WITH INTRINSIC INJECTABILITY, REPAIRABILITY AND RECYCLABILITY FUNDACIÓN CIDETEC (ES) 2019-04-04 WO disclosed
WO-2018108950-A1 DISULFIDE-CONTAINING SELF-HEALING POLYMER BLEND REPSOL, S.A. (ES) 2018-06-21 WO disclosed
US-20170291982-A1 A SELF-HEALING, REPROCESSABLE AND RECYCLABLE CROSSLINKED POLYMER AND PROCESS FOR ITS PREPARATION FUNDACIÓN CIDETEC (ES) 2017-10-12 US disclosed
EP-3197929-A1 A SELF-HEALING, REPROCESSABLE AND RECYCLABLE CROSSLINKED POLYMER AND PROCESS FOR ITS PREPARATION Fundación Cidetec (ES) 2017-08-02 EP disclosed
US-20170008999-A1 SELF-HEALING ELASTOMER AND PROCESS FOR ITS PREPARATION FUNDACIÓN CIDETEC (ES) 2017-01-12 US disclosed
EP-3110877-A1 SELF-HEALING ELASTOMER AND PROCESS FOR ITS PREPARATION Fundación Cidetec (ES) 2017-01-04 EP disclosed
CN-105899595-A Highly filled polyurethane compositions SIKA技术股份公司 2016-08-24 CN disclosed
WO-2016046135-A1 A SELF-HEALING, REPROCESSABLE AND RECYCLABLE CROSSLINKED POLYMER AND PROCESS FOR ITS PREPARATION FUNDACIÓN CIDETEC (ES) 2016-03-31 WO disclosed
WO-2015127981-A1 SELF-HEALING ELASTOMER AND PROCESS FOR ITS PREPARATION FUNDACIÓN CIDETEC (ES) 2015-09-03 WO disclosed