SCHEMBL11248784

SCHEMBL11248784

CC(C)O/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC#N)CS[C@H]12)c1csc(N)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.71
▸ PGR P06401 2/20 0.71
▸ PPARG P37231 2/20 0.61
▸ SLC22A6 Q4U2R8 2/20 0.61
▸ SLC22A8 Q8TCC7 2/20 0.61
▸ SLC22A11 Q9NSA0 2/20 0.61
▸ DAO P14920 1/20 0.61
▸ SNCA P37840 1/20 0.61
▸ CYP2J2 P51589 1/20 0.61
▸ ABCC4 O15439 1/20 0.60
▸ HTR2C P28335 1/20 0.59
▸ TDP1 Q9NUW8 6/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ MAPT P10636 3/20 0.56
▸ ALB P02768 1/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ KMT2A Q03164 1/20 0.54
▸ APEX1 P27695 3/20 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
SCHEMBL11248791 1.00 NR1I2 (0.71) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10830836 0.94 NR1I2 (0.71) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10830831 0.94 NR1I2 (0.71) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11251181 0.93 NR1I2 (0.81) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11297910 0.93 NR1I2 (0.81) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11261261 0.93 NR1I2 (0.81) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11181596 0.93 NR1I2 (0.74) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11181575 0.93 NR1I2 (0.74) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11248731 0.91 NR1I2 (0.70) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11248736 0.91 NR1I2 (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0048168-A2 7-Acylamino cephalosporin compounds, their preparation and pharmaceutical formulations containing them ELI LILLY AND COMPANY (US) 1982-03-24 — — EP disclosed
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