SCHEMBL1997012

SCHEMBL1997012

Nc1nnc(-c2ccc([N+](=O)[O-])o2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 5/20 0.53
▸ GAA P10253 5/20 0.53
▸ SI P14410 5/20 0.53
▸ MGAM2 Q2M2H8 5/20 0.53
▸ PKM P14618 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CHEK1 O14757 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ DAPK3 O43293 1/20 0.37

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
SCHEMBL2506896 0.81 MMP2 (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL26135464 0.80 CHEK1 (0.44) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL11882511 0.78 TDP1 (0.40) ALDH1A1MEN1MAPTKMT2AMMP2
SCHEMBL25028187 0.76 MMP2 (0.46) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL16151139 0.73 MMP2 (0.40) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL3344653 0.73 MAPT (0.53) ALDH1A1MEN1MAPTKMT2AMMP2
SCHEMBL2487170 0.72 MAPT (0.41) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL11364130 0.71 ALDH1A1 (0.51) MGAMGAASIMGAM2ALDH1A1
SCHEMBL31758552 0.71 ALDH1A1 (0.51) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11833908 0.71 MMP2 (0.42) GAAALDH1A1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023187182-A1 PYRAZOLOPYRAZINONE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2023-10-05 — — WO claimed
US-20080086214-A1 Medical device having a sleeve valve with bioactive agent WILSON-COOK MEDICAL INC. (US) 2008-04-10 — — US claimed
WO-2023187182-A1 PYRAZOLOPYRAZINONE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2023-10-05 — — WO disclosed
CN-110407730-B Pyrrolidone herbicides FMC 公司 2023-09-08 — — CN disclosed
CN-114805243-B Preparation of 1,3, 4-thiadiazole and 1,3, 4-selenadiazole 兰州大学 2023-06-20 — — CN disclosed
CN-114805243-A Preparation of 1,3, 4-thiadiazole and 1,3, 4-selenadiazole 兰州大学 2022-07-29 — — CN disclosed
US-8881365-B2 Implantable graft device having treated yarn and method for making same COOK MEDICAL TECHNOLOGIES LLC (US) 2014-11-11 — — US disclosed
EP-2788041-A1 ANTIFUNGAL CATHETER Rochester Medical Corporation (US) 2014-10-15 — — EP disclosed
CN-104053460-A ANTIFUNGAL CATHETER ROCHESTER MEDICAL CORP 2014-09-17 — — CN disclosed
WO-2013086195-A1 ANTIFUNGAL CATHETER ROCHESTER MEDICAL CORPORATION (US) 2013-06-13 — — WO disclosed
US-20130150828-A1 ANTIFUNGAL CATHETER ROCHESTER MEDICAL CORPORATION (US) 2013-06-13 — — US disclosed
EP-0617631-A4 SUSTAINED-RELEASE BACTERICIDAL CANNULA. ROCHESTER MEDICAL CORP (US) 1995-02-22 — — EP disclosed
EP-0617631-A1 SUSTAINED-RELEASE BACTERICIDAL CANNULA ROCHESTER MEDICAL CORPORATION (US) 1994-10-05 — — EP disclosed
US-5261896-A Sustained release bactericidal cannula ROCHESTER MEDICAL CORPORATION (US) 1993-11-16 — — US disclosed
WO-1993011821-A1 SUSTAINED-RELEASE BACTERICIDAL CANNULA ROCHESTER MEDICAL CORPORATION (US) 1993-06-24 — — WO disclosed
US-4684728-A Solubilizing biologically active compounds with reactive hydrogen atoms BAYER AKTIENGESELLSCHAFT (DE) 1987-08-04 — — US disclosed
EP-0017772-B1 METHOD OF IMPROVING THE SOLUBILITY OF BIOLOGICALLY ACTIVE AGENTS IN WATER AND IN LOWER ALIPHATIC ALCOHOLS, AND COMPOUNDS HAVING AN IMPROVED SOLUBILITY BAYER AG (DE) 1982-07-28 — — EP disclosed
EP-0014263-B1 METHOD OF IMPROVING THE SOLUBILITY OF BIOLOGICALLY ACTIVE AGENTS IN WATER AND IN LOWER ALIPHATIC ALCOHOLS, AND COMPOUNDS HAVING AN IMPROVED SOLUBILITY BAYER AG (DE) 1982-05-05 — — EP disclosed
EP-0017772-A1 Method of improving the solubility of biologically active agents in water and in lower aliphatic alcohols, and compounds having an improved solubility BAYER AG (DE) 1980-10-29 — — EP disclosed
EP-0014263-A2 Method of improving the solubility of biologically active agents in water and in lower aliphatic alcohols, and compounds having an improved solubility BAYER AG (DE) 1980-08-20 — — EP disclosed
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