SCHEMBL11190043

SCHEMBL11190043

CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nncn3C)CS[C@@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.62
▸ PGR P06401 3/20 0.62
▸ PPARG P37231 3/20 0.59
▸ SLC22A6 Q4U2R8 3/20 0.59
▸ SLC22A8 Q8TCC7 3/20 0.59
▸ SLC22A11 Q9NSA0 3/20 0.59
▸ DAO P14920 1/20 0.59
▸ SNCA P37840 1/20 0.59
▸ CYP2J2 P51589 1/20 0.59
▸ ABCC4 O15439 2/20 0.58
▸ KMT2A Q03164 1/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ MAPT P10636 5/20 0.53
▸ TDP1 Q9NUW8 5/20 0.53
▸ APEX1 P27695 3/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ RECQL P46063 2/20 0.53
▸ CYP2D6 P10635 1/20 0.53

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
SCHEMBL11184710 0.89 NR1I2 (0.61) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11194342 0.89 NR1I2 (0.62) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10832993 0.89 NR1I2 (0.68) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11146666 0.87 NR1I2 (0.56) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10416383 0.87 NR1I2 (0.56) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11146670 0.87 NR1I2 (0.56) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL8747445 0.87 NR1I2 (0.57) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10833294 0.87 NR1I2 (0.64) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10831937 0.87 NR1I2 (0.64) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10337674 0.87 NR1I2 (0.56) NR1I2PGRPPARGSLC22A6SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4379739-A Electrolytic reduction of cephalosporin p-nitrobenzyl esters ELI LILLY AND COMPANY (US) 1983-04-12 — — US disclosed
EP-0038626-A1 A process for electrolytic reduction of cephalosporin p-nitrobenzyl esters ELI LILLY AND COMPANY (US) 1981-10-28 — — EP disclosed
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