SCHEMBL8756835

SCHEMBL8756835

CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)OCc3ccc(OC)cc3)=C(CCl)CS[C@@H]12)c1csc(N)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.67
▸ HTR2C P28335 1/20 0.67
▸ MAPT P10636 3/20 0.66
▸ PPARG P37231 2/20 0.66
▸ SLC22A6 Q4U2R8 2/20 0.66
▸ SLC22A8 Q8TCC7 2/20 0.66
▸ SLC22A11 Q9NSA0 2/20 0.66
▸ ALB P02768 1/20 0.66
▸ TDP1 Q9NUW8 4/20 0.65
▸ APEX1 P27695 2/20 0.65
▸ HSD17B10 Q99714 2/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ PKM P14618 1/20 0.65
▸ ALDH1A1 P00352 1/20 0.65
▸ ABCC4 O15439 1/20 0.65
▸ LMNA P02545 1/20 0.65
▸ POLB P06746 1/20 0.65
▸ RECQL P46063 1/20 0.65
▸ NPSR1 Q6W5P4 1/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.65

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
SCHEMBL8756828 1.00 NR1I2 (0.67) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL6692515 0.94 NR1I2 (0.75) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL8756707 0.93 NR1I2 (0.58) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL8756698 0.93 NR1I2 (0.58) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL14435206 0.93 NR1I2 (0.65) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL21307548 0.90 NR1I2 (0.56) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL12968958 0.90 NR1I2 (0.56) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL19407657 0.90 NR1I2 (0.56) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL17528943 0.90 NR1I2 (0.56) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL6711578 0.89 NR1I2 (0.53) NR1I2HTR2CMAPTPPARGSLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771803-A1 Pyrazolo(1,5-a)pyrimidinium substituted cephem derivatives, their preparation and their use as antimicrobial agents KATAYAMA SEIYAKUSYO CO. Ltd. (JP) 1997-05-07 — — EP disclosed
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