SCHEMBL11045889

SCHEMBL11045889

Nc1nc(C(=NOC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)NC2C(=O)N3C(C(=O)[O-])=C(C[n+]4ccccc4)CS[C@@H]23)ns1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 3/20 0.64
▸ ESR1 P03372 2/20 0.64
▸ PGR P06401 1/20 0.64
▸ PPARG P37231 1/20 0.64
▸ TDP1 Q9NUW8 11/20 0.64
▸ HSD17B10 Q99714 7/20 0.64
▸ KCNH2 Q12809 1/20 0.52
▸ MAPT P10636 6/20 0.51
▸ LMNA P02545 5/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ RECQL P46063 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ SLC22A6 Q4U2R8 1/20 0.51
▸ SLC22A8 Q8TCC7 1/20 0.51
▸ SLC22A11 Q9NSA0 1/20 0.51

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
SCHEMBL11045887 1.00 NR1I2 (0.64) NR1I2ESR1PGRPPARGTDP1
SCHEMBL16034188 0.90 NR1I2 (0.79) NR1I2ESR1PGRPPARGTDP1
SCHEMBL16034186 0.90 NR1I2 (0.79) NR1I2ESR1PGRPPARGTDP1
SCHEMBL11344928 0.90 NR1I2 (0.79) NR1I2ESR1PGRPPARGTDP1
SCHEMBL11344926 0.90 NR1I2 (0.79) NR1I2ESR1PGRPPARGTDP1
SCHEMBL9510176 0.89 NR1I2 (0.65) NR1I2ESR1PGRPPARGTDP1
SCHEMBL11041820 0.89 NR1I2 (0.65) NR1I2ESR1PGRPPARGTDP1
SCHEMBL11040724 0.88 NR1I2 (0.62) NR1I2ESR1PGRPPARGTDP1
SCHEMBL11040722 0.88 NR1I2 (0.62) NR1I2ESR1PGRPPARGTDP1
SCHEMBL10930657 0.88 NR1I2 (0.64) NR1I2ESR1PGRPPARGTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0027599-B1 CEPHEM COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-03 — — EP disclosed
US-4425340-A ANTIBIOTICS, BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-01-10 — — US disclosed
US-4390534-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-06-28 — — US disclosed
EP-0027599-A2 Cephem compounds, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-29 — — EP disclosed
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