SCHEMBL453514

SCHEMBL453514

O=C(O)c1cccc2[nH]cnc12

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.72
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
DHODH Q02127 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
CNR2 P34972 1/20 0.44

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
Hydrochloric Acid SCHEMBL22165594 0.98 PARP1 (0.70) PARP1KDM4EHPGDDHODHRXFP1
Hydrochloric Acid SCHEMBL2129546 0.98 PARP1 (0.70) PARP1KDM4EHPGDDHODHRXFP1
SCHEMBL28284556 0.98 PARP1 (0.70) PARP1KDM4EHPGDDHODHRXFP1
SCHEMBL9218238 0.98 PARP1 (0.70) PARP1KDM4EHPGDDHODHRXFP1
Acetic Acid SCHEMBL7575146 0.95 PARP1 (0.66) PARP1KDM4EHPGDDHODHRXFP1
Trifluoroacetic Acid SCHEMBL20482044 0.91 PARP1 (0.60) PARP1KDM4EHPGDDHODHRXFP1
SCHEMBL28267894 0.88 PARP1 (0.61) PARP1KDM4EHPGDRXFP1CNR2
Tromethamine SCHEMBL16115019 0.87 PARP1 (0.60) PARP1KDM4EHPGDRXFP1
SCHEMBL30100550 0.86 PARP1 (0.54) PARP1KDM4EHPGDDHODHALDH1A1
SCHEMBL9725323 0.85 PARP1 (0.58) PARP1KDM4EDHODHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4118069-B1 PARA-HYDROQUINONE DERIVATIVES AS VEGF, TNF AND/OR IL INHIBITORS FOR THE TREATMENT OF NEUROINFLAMMATORY DISEASES OM PHARMA SA (CH) 2024-10-23 EP claimed
CN-117696012-A Metal organic framework material and preparation method and application thereof 浙江大学 2024-03-15 CN claimed
CN-112300235-B Benzimidazole derivative BI321 and preparation method and application thereof 中国人民解放军东部战区总医院 2021-12-21 CN claimed
CN-112920241-B Benzimidazole derivative BI308 and preparation method and application thereof 中国人民解放军东部战区总医院 2021-12-21 CN claimed
CN-112812145-B Benzimidazole derivative BI293 and preparation method and application thereof 中国人民解放军东部战区总医院 2021-12-21 CN claimed
CN-112375112-B Benzimidazole derivative BI361 and preparation method and application thereof 中国人民解放军东部战区总医院 2021-12-21 CN claimed
CN-112920241-A Benzimidazole derivative BI308 and preparation method and application thereof 中国人民解放军东部战区总医院 2021-06-08 CN claimed
CN-112812145-A Benzimidazole derivative BI293 and preparation method and application thereof 中国人民解放军东部战区总医院 2021-05-18 CN claimed
CN-112592485-A Preparation of polyion liquid functionalized MOFs material and application of polyion liquid functionalized MOFs material in synthesis of isopulegol 福州大学 2021-04-02 CN claimed
CN-112375112-A Benzimidazole derivative BI361 and preparation method and application thereof 中国人民解放军东部战区总医院 2021-02-19 CN claimed
CN-1215338-A Pharmaceutical combination containing a compound having angiotensin II and antagonisti activity TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-04-28 CN claimed
EP-0546358-B1 Pharmaceutical compositions with angiotensin-II-antagonistic activity TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-08-27 EP claimed
EP-0759754-A1 A METHOD OF MODIFYING ANGIOTENSIN RECEPTOR ACTIVITY FOR TREATMENT OF PREMENSTRUAL SYNDROME AND MEDIATION OF PAIN DePadova, Anthony S. (US) 1997-03-05 EP claimed
US-5534534-A HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-09 US claimed
WO-1995029674-A1 A METHOD OF MODIFYING ANGIOTENSIN RECEPTOR ACTIVITY FOR TREATMENT OF PREMENSTRUAL SYNDROME AND MEDIATION OF PAIN DEPADOVA ANTHONY S (US) 1995-11-09 WO claimed
EP-0612524-A1 Angiotensin II antagonists for the treatment of viral diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-08-31 EP claimed
CN-1086998-A Combination of oral medication and preparation method TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-05-25 CN claimed
EP-0546358-A2 Pharmaceutical compositions with angiotensin-II-antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-16 EP claimed
CN-1072338-A Combination of oral medication and preparation method TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-05-26 CN claimed
US-4662905-A REACTION PRODUCT OF COPPER SALT AND AN IMIDAZOLE, PYRAZOLE, TRIAZOLE, OR TETRAZOLE Itaru Todoriki, Director of Agency of Industrial Science and Technology (JP) 1987-05-05 US claimed