SCHEMBL8747531

SCHEMBL8747531

CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(SC3CCN(C)C3=O)CS[C@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ KMT2A Q03164 1/20 0.49
▸ MAPT P10636 3/20 0.49
▸ PPARG P37231 2/20 0.49
▸ SLC22A6 Q4U2R8 2/20 0.49
▸ SLC22A8 Q8TCC7 2/20 0.49
▸ SLC22A11 Q9NSA0 2/20 0.49
▸ ALB P02768 1/20 0.49
▸ PGR P06401 3/20 0.48
▸ DAO P14920 1/20 0.47
▸ SNCA P37840 1/20 0.47
▸ CYP2J2 P51589 1/20 0.47
▸ ABCC4 O15439 2/20 0.46
▸ PTGS2 P35354 1/20 0.45
▸ PTGS1 P23219 1/20 0.44
▸ TDP1 Q9NUW8 5/20 0.44
▸ APEX1 P27695 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL8747362 0.94 NR1I2 (0.49) NR1I2HTR2CKMT2AMAPTPPARG
SCHEMBL8747397 0.91 NR1I2 (0.51) NR1I2HTR2CKMT2AMAPTPPARG
SCHEMBL8747310 0.86 NR1I2 (0.68) NR1I2HTR2CKMT2AMAPTPPARG
SCHEMBL8754782 0.86 NR1I2 (0.52) NR1I2HTR2CKMT2AMAPTPPARG
SCHEMBL9573660 0.85 NR1I2 (0.63) NR1I2HTR2CKMT2AMAPTPPARG
SCHEMBL10337520 0.85 NR1I2 (0.63) NR1I2HTR2CKMT2AMAPTPPARG
SCHEMBL10861182 0.85 NR1I2 (0.63) NR1I2HTR2CKMT2AMAPTPPARG
SCHEMBL9826590 0.85 NR1I2 (0.63) NR1I2HTR2CKMT2AMAPTPPARG
SCHEMBL9573654 0.85 NR1I2 (0.63) NR1I2HTR2CKMT2AMAPTPPARG
SCHEMBL10337581 0.85 NR1I2 (0.63) NR1I2HTR2CKMT2AMAPTPPARG

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
EP-0548186-B1 CEPHALOSPORIN DERIVATIVES AND THEIR HOMOLOGUES BEECHAM GROUP PLC (GB) 1997-03-05 — — EP disclosed
WO-1992004353-A1 CEPHALOSPORIN DERIVATIVES AND THEIR HOMOLOGUES BEECHAM GROUP PLC (GB) 1992-03-19 — — WO disclosed
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