SCHEMBL9122199

SCHEMBL9122199

CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)CC(C)=O)CS[C@H]12)c1nsc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.54
▸ MAPT P10636 5/20 0.54
▸ PPARG P37231 2/20 0.54
▸ SLC22A6 Q4U2R8 2/20 0.54
▸ SLC22A8 Q8TCC7 2/20 0.54
▸ SLC22A11 Q9NSA0 2/20 0.54
▸ ALB P02768 1/20 0.54
▸ TDP1 Q9NUW8 7/20 0.51
▸ HSD17B10 Q99714 4/20 0.51
▸ PGR P06401 4/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ APEX1 P27695 2/20 0.46
▸ PKM P14618 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ ABCC4 O15439 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ RECQL P46063 1/20 0.46

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
SCHEMBL9122201 1.00 NR1I2 (0.54) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9121165 0.93 NR1I2 (0.46) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9121170 0.93 NR1I2 (0.46) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL11354874 0.87 MAPT (0.52) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9121308 0.86 NR1I2 (0.65) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9121311 0.86 NR1I2 (0.65) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL11045916 0.86 NR1I2 (0.65) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL10776245 0.83 NR1I2 (0.53) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL11038915 0.83 NR1I2 (0.52) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL11088997 0.82 MAPT (0.52) NR1I2MAPTPPARGSLC22A6SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5409919-A Pharmaceutically acceptable salt of 7B-[2-(5-amino-1,2,4-thio-diazol-3-yl)-2(Z)-metho-xyiminoacetamido]-3-[(imidazo[1,2-b]pyridazinium-1-yl)methyl]-3-cephem-4-carboxylate and composition comprising same TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-25 — — US disclosed
EP-0203271-B1 ANTIBACTERIAL COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-05-26 — — EP disclosed
EP-0160252-B1 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1992-08-26 — — EP disclosed
US-4962100-A 3-Condensed imidazolium-cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-10-09 — — US disclosed
EP-0164122-B1 CEPHEM COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 1990-09-19 — — EP disclosed
US-4946837-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-08-07 — — US disclosed
US-4864022-A 3-Condensed imidazolium-cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-09-05 — — US disclosed
US-4826834-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-05-02 — — US disclosed
US-4788185-A Cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-29 — — US disclosed
US-4665065-A 3-pyrazolo(1,5-aαpyridinium cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 — — US disclosed
EP-0216385-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1987-04-01 — — EP disclosed
EP-0203271-A2 Antibacterial compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-12-03 — — EP disclosed
WO-1986005183-A1 ANTIBACTERIAL COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-09-12 — — WO disclosed
EP-0164122-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-12-11 — — EP disclosed
EP-0164113-A2 3-pyrazolo(1,5-a)pyridinium cephem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-12-11 — — EP disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 — — EP disclosed
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