SCHEMBL606429

SCHEMBL606429

NC(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 14/20 1.00
PARP15 Q460N3 4/20 0.83
PARP14 Q460N5 2/20 0.83
PARP4 Q9UKK3 2/20 0.83
ALDH1A1 P00352 1/20 0.83
KMT2A Q03164 1/20 0.83
PARP16 Q8N5Y8 1/20 0.83
PARP11 Q9NR21 1/20 0.83
PARP2 Q9UGN5 3/20 0.72
TNKS O95271 1/20 0.72
TNKS2 Q9H2K2 1/20 0.72
PARP3 Q9Y6F1 1/20 0.63
PARP1 P09874 2/20 0.62
POLB P06746 1/20 0.62
CYP3A4 P08684 1/20 0.62
MAPT P10636 1/20 0.62
TSHR P16473 1/20 0.62
CYP2C19 P33261 1/20 0.62
RECQL P46063 1/20 0.62
BLM P54132 1/20 0.62

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
Terephthalamide SCHEMBL4205368 1.00 PARP10 (1.00) PARP10PARP15PARP14PARP4ALDH1A1
Diphenylether SCHEMBL3939335 0.98 PARP10 (0.96) PARP10PARP15PARP14PARP4ALDH1A1
Acetic Acid SCHEMBL4630327 0.94 PARP10 (0.89) PARP10PARP15PARP14PARP4ALDH1A1
Diphenylether SCHEMBL3013964 0.93 PARP10 (0.88) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL3137816 0.91 PARP10 (1.00) PARP10PARP15PARP14PARP4ALDH1A1
Fumaric Acid SCHEMBL3318252 0.91 PARP10 (0.82) PARP10PARP15PARP14PARP4ALDH1A1
Diphenylether SCHEMBL6865503 0.90 PARP10 (0.81) PARP10PARP15PARP14PARP4ALDH1A1
Diphenylether SCHEMBL28000843 0.89 PARP10 (0.81) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL24124455 0.88 PARP10 (0.79) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL22724717 0.88 PARP10 (0.79) PARP10PARP15PARP14PARP4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3037412-B1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2020-09-30 EP claimed
CN-105658625-B Indole amide compounds as inhibitors of cellular necrosis 株式会社LG化学 2019-05-03 CN claimed
CN-109678788-A A kind of 1,2- diaryl indoles, derivative and its synthetic method 湘潭大学 2019-04-26 CN claimed
CN-109153655-A For preventing or treating the novel N- acyl urea derivatives of cardiovascular disease and comprising its composition 高丽大学校产学协力团 2019-01-04 CN claimed
CN-108997546-A A kind of carbon containing nitrogen and the benzoxazine resin of azo structure and preparation method thereof 西南石油大学 2018-12-14 CN claimed
CN-108997548-A A kind of photolytic activity benzoxazine resin and preparation method thereof 西南石油大学 2018-12-14 CN claimed
CN-108997228-A The preparation method and application of 6- chloropyrazine -2- amides compound containing diphenyl ether base 陈磊 2018-12-14 CN claimed
CN-108892646-A Chloro- 2- pyrazinamide class compound of a kind of 6- containing diphenyl ether base and the preparation method and application thereof 上海凯爱网络科技有限公司 2018-11-27 CN claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
CN-108003054-A A kind of chrysanthemum amide compound containing diphenyl ether and preparation method and application 河北大学 2018-05-08 CN claimed
CN-1323195-A UV protection compositions PROCTER & GAMBLE (US) 2001-11-21 CN claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
CN-1310621-A Substituted anilide compounds and methods SMITHKLINE BEECHAM CORP (US) 2001-08-29 CN claimed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 WO claimed
WO-2001009106-A1 DIAMINO-1,2,4-TRIAZOLE-CARBOXYLIC AND DERIVATIVES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-02-08 WO claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
WO-2000006146-A9 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2000-08-03 WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
CN-1049495-A Butyro-derivative CIBA GEIGY AG (CH) 1991-02-27 CN claimed