SCHEMBL8424865

SCHEMBL8424865

NC(=O)c1ccc[n+](C/C=C/C2=C(C(=O)OC(c3ccccc3)c3ccccc3)N3C(=O)[C@@H](NC(=O)/C(=N\OC(F)F)c4csc(NC(c5ccccc5)(c5ccccc5)c5ccccc5)n4)[C@@H]3SC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 3/20 0.39
▸ PPARG P37231 2/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ TDP1 Q9NUW8 7/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ LMNA P02545 3/20 0.38
▸ APAF1 O14727 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ APEX1 P27695 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PLCG1 P19174 1/20 0.38
▸ ABCC2 Q92887 1/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.38
▸ PSMD14 O00487 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MAPT P10636 5/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ USP2 O75604 1/20 0.37

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
SCHEMBL8425761 0.88 TDP1 (0.41) NR1I2PPARGESR1PGRTDP1
Iodide SCHEMBL9760681 0.87 TDP1 (0.37) NR1I2PPARGESR1PGRTDP1
SCHEMBL8425864 0.85 TDP1 (0.39) NR1I2PPARGESR1PGRTDP1
Iodide SCHEMBL9004570 0.82 NR1I2 (0.41) NR1I2PPARGESR1PGRTDP1
SCHEMBL9667500 0.82 TDP1 (0.42) NR1I2PPARGESR1PGRTDP1
SCHEMBL9667504 0.82 TDP1 (0.42) NR1I2PPARGESR1PGRTDP1
SCHEMBL9667985 0.82 TDP1 (0.42) NR1I2PPARGESR1PGRTDP1
SCHEMBL9667991 0.82 TDP1 (0.42) NR1I2PPARGESR1PGRTDP1
SCHEMBL9662765 0.82 MAPT (0.48) NR1I2PPARGESR1PGRTDP1
SCHEMBL9662774 0.82 MAPT (0.48) NR1I2PPARGESR1PGRTDP1

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-5969131-A OR PRECURSORS; CHEMICAL INTERMEDIATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-10-19 — — US disclosed
EP-0634415-A2 Cephem compound, its production and its use for producing cephem antibiotics SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-18 — — EP disclosed
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