SCHEMBL29408741

SCHEMBL29408741

O=C1Cc2ccccc2ON1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.48
MAOB P27338 2/20 0.48
AHR P35869 2/20 0.47
PDK2 Q15119 1/20 0.47
TDP2 O95551 2/20 0.44
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
CASP9 P55211 1/20 0.44
CASP6 P55212 1/20 0.44
CASP8 Q14790 1/20 0.44
MAP3K14 Q99558 1/20 0.44
CYP1A2 P05177 1/20 0.41
NPC1 O15118 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
OXTR P30559 1/20 0.36
CYP2A6 P11509 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6937 1.00 MAOA (0.48) MAOAMAOBAHRPDK2TDP2
SCHEMBL2919635 0.98 MAOA (0.46) MAOAMAOBAHRPDK2TDP2
Hydrochloric Acid SCHEMBL5625931 0.98 MAOA (0.46) MAOAMAOBAHRPDK2TDP2
SCHEMBL9249507 0.89 MAOA (0.43) MAOAMAOBAHRPDK2TDP2
Phenol SCHEMBL5504361 0.89 MAOB (0.39) MAOAMAOBAHRPDK2TDP2
Piperidine SCHEMBL11313946 0.89 MAOA (0.39) MAOAMAOBAHRPDK2TDP2
Carbamic Acid SCHEMBL15477883 0.89 MAOA (0.39) MAOAMAOBAHRPDK2TDP2
Isothiocyanate SCHEMBL9846811 0.89 MAOA (0.39) MAOAMAOBAHRPDK2TDP2
SCHEMBL1773313 0.82 MAOA (0.34) MAOAMAOBAHRPDK2TDP2
SCHEMBL28738530 0.82 MAOA (0.34) MAOAMAOBAHRPDK2TDP2

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
EP-3390539-B1 BENZOXAZINE AND PHTHALONITRILE RESIN BLENDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2024-12-04 EP claimed
EP-4037687-B1 BENZOXAZINONE COMPOUNDS AS KLK5/7 DUAL INHIBITORS MOLECULAR SKIN THERAPEUTICS INC (US) 2025-10-29 EP disclosed
CN-118647610-A Novel modulators of EHMT1 and EHMT2 and therapeutic uses thereof 探戈医药股份有限公司 2024-09-13 CN disclosed
EP-4416143-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF Tango Therapeutics, Inc. (US) 2024-08-21 EP disclosed
CN-107207737-B Use of block copolymers for protecting parts made of metal 阿科玛法国公司 2024-08-13 CN disclosed
CN-114144458-B Stabilizer composition for silyl modified polymeric sealants 科莱恩国际有限公司 2023-11-10 CN disclosed
EP-4037687-A4 BENZOXAZINONE COMPOUNDS AS KLK5/7 DUAL INHIBITORS Molecular Skin Therapeutics, Inc. (US) 2023-09-27 EP disclosed
WO-2023064586-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed
CN-115190895-A High heat polycarbonate copolymer formulations 高新特殊工程塑料全球技术有限公司 2022-10-14 CN disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
EP-4037687-A1 BENZOXAZINONE COMPOUNDS AS KLK5/7 DUAL INHIBITORS Molecular Skin Therapeutics, Inc. (US) 2022-08-10 EP disclosed
EP-3867249-A4 NOVEL (ISOPROPYL-TRIAZOLYL)PYRIDINYL-SUBSTITUTED BENZOOXAZINONE OR BENZOTHIAZINONE DERIVATIVES AND USE THEREOF HK inno.N Corporation (KR) 2022-06-22 EP disclosed
CN-113372219-B Method for preparing ethynylnaphthalene derivative by [4+2] cyclization reaction with water as solvent 三峡大学 2022-03-08 CN disclosed