SCHEMBL11287238

SCHEMBL11287238

NC(=O)CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3cc(N)c4nnnn4n3)CS[C@@H]12)c1csc(N)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.65
▸ PGR P06401 2/20 0.65
▸ PPARG P37231 2/20 0.56
▸ SLC22A6 Q4U2R8 2/20 0.56
▸ SLC22A8 Q8TCC7 2/20 0.56
▸ SLC22A11 Q9NSA0 2/20 0.56
▸ HTR2C P28335 1/20 0.56
▸ DAO P14920 1/20 0.56
▸ SNCA P37840 1/20 0.56
▸ CYP2J2 P51589 1/20 0.56
▸ ABCC4 O15439 1/20 0.55
▸ TDP1 Q9NUW8 7/20 0.55
▸ APEX1 P27695 3/20 0.55
▸ APAF1 O14727 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ PLCG1 P19174 1/20 0.55
▸ ABCC2 Q92887 1/20 0.55
▸ SIRT5 Q9NXA8 1/20 0.55

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
SCHEMBL11281007 0.96 NR1I2 (0.66) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11279816 0.93 NR1I2 (0.76) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11282407 0.92 NR1I2 (0.63) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11279346 0.91 NR1I2 (0.64) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11285658 0.89 NR1I2 (0.66) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11276444 0.87 NR1I2 (0.74) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11283333 0.87 NR1I2 (0.75) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10833878 0.87 NR1I2 (0.74) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11286464 0.87 NR1I2 (0.74) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11280860 0.86 NR1I2 (0.62) 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
US-4331666-A BACTERICIDAL CEPHALOSPORIN ANTIBIOTICS FARMITALIA CARLO ERBA S.P.A. (IT) 1982-05-25 — — US disclosed
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