SCHEMBL29633257

SCHEMBL29633257

O=C1C=C(Nc2ccccc2)C(=O)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 1.00
▸ SMN1; SMN2 Q16637 6/20 1.00
▸ RAB9A P51151 5/20 1.00
▸ MAPK1 P28482 5/20 1.00
▸ L3MBTL1 Q9Y468 5/20 1.00
▸ LMNA P02545 5/20 1.00
▸ HTT P42858 5/20 1.00
▸ NPC1 O15118 4/20 1.00
▸ ALDH1A1 P00352 4/20 1.00
▸ NFKB1 P19838 1/20 1.00
▸ NFKB2 Q00653 1/20 1.00
▸ RELA Q04206 1/20 1.00
▸ BLM P54132 4/20 0.75
▸ TDP1 Q9NUW8 4/20 0.75
▸ JAK2 O60674 1/20 0.75
▸ EPHB2 P29323 1/20 0.75
▸ MEN1 O00255 6/20 0.73
▸ KMT2A Q03164 6/20 0.73
▸ CASP3 P42574 4/20 0.73
▸ SENP8 Q96LD8 4/20 0.73

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
SCHEMBL754259 1.00 MAPT (1.00) MAPTSMN1; SMN2RAB9AMAPK1L3MBTL1
SCHEMBL28408126 0.98 MAPT (0.96) MAPTSMN1; SMN2RAB9AMAPK1L3MBTL1
SCHEMBL7912631 0.89 MAPT (0.80) MAPTSMN1; SMN2RAB9AMAPK1L3MBTL1
SCHEMBL16297260 0.86 MAPT (0.75) MAPTSMN1; SMN2RAB9AMAPK1L3MBTL1
SCHEMBL29633300 0.86 CASP3 (0.77) MAPTSMN1; SMN2RAB9AMAPK1L3MBTL1
SCHEMBL29633237 0.86 RAB9A (1.00) MAPTSMN1; SMN2RAB9AMAPK1L3MBTL1
SCHEMBL30991485 0.86 MAPT (0.75) MAPTSMN1; SMN2RAB9AMAPK1L3MBTL1
SCHEMBL16297244 0.86 CASP3 (0.77) MAPTSMN1; SMN2RAB9AMAPK1L3MBTL1
SCHEMBL14571425 0.86 MAPT (0.77) MAPTSMN1; SMN2RAB9AMAPK1L3MBTL1
SCHEMBL30991484 0.86 MAPT (0.75) MAPTSMN1; SMN2RAB9AMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114702400-A 3-trifluoromethylalkenyl-2-phenylamino-1, 4-naphthoquinone compound and preparation method thereof 信阳师范学院 2022-07-05 — — CN claimed
CN-118271193-A Method for promoting catalytic synthesis of 2-amino-1, 4-naphthoquinone compounds by using nicotinic acid as ligand and using dichloro-titanocene 宁夏师范学院 2024-07-02 — — CN disclosed
CN-112739725-B Amino quinone anti-polymerization agent and method of use thereof 埃科莱布美国股份有限公司 2023-09-26 — — CN disclosed
EP-4172165-A1 PREPARATION OF MULTIFUNCTIONAL ORGANOSILICON COMPOUNDS Dow Silicones Corporation (US) 2023-05-03 — — EP disclosed
CN-115052932-A Composition, method for preparing copolymer and end use of copolymer 美国陶氏有机硅公司 2022-09-13 — — CN disclosed
CN-114702400-A 3-trifluoromethylalkenyl-2-phenylamino-1, 4-naphthoquinone compound and preparation method thereof 信阳师范学院 2022-07-05 — — CN disclosed
CN-114702400-A 3-trifluoromethylalkenyl-2-phenylamino-1, 4-naphthoquinone compound and preparation method thereof 信阳师范学院 2022-07-05 — — CN disclosed
CN-114702399-A 2-trifluoroalkyl-1, 4-naphthoquinone compound and synthetic method thereof 信阳师范学院 2022-07-05 — — CN disclosed
CN-114685295-A Polyfluoroalkyl-containing 2-amino-1, 4-naphthoquinone compound and preparation method thereof 信阳师范学院 2022-07-01 — — CN disclosed
CN-109748809-B Method for synthesizing 2-substituted amino-1, 4-naphthoquinone derivative 中国科学院成都有机化学有限公司 2022-05-13 — — CN disclosed
Send feedback