SCHEMBL9510176

SCHEMBL9510176

CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@@H]12)c1nsc(N)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.65
▸ ESR1 P03372 2/20 0.65
▸ PGR P06401 1/20 0.65
▸ PPARG P37231 1/20 0.65
▸ TDP1 Q9NUW8 10/20 0.64
▸ HSD17B10 Q99714 6/20 0.64
▸ ADRA1A P35348 1/20 0.58
▸ MAPT P10636 7/20 0.56
▸ APEX1 P27695 3/20 0.56
▸ POLB P06746 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ RECQL P46063 3/20 0.56
▸ PKM P14618 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ ABCC4 O15439 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ DRD2 P14416 1/20 0.55
▸ ADRA2B P18089 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
SCHEMBL11041820 1.00 NR1I2 (0.65) NR1I2ESR1PGRPPARGTDP1
SCHEMBL11145207 0.94 NR1I2 (0.57) NR1I2ESR1PGRPPARGTDP1
SCHEMBL11145202 0.94 NR1I2 (0.57) NR1I2ESR1PGRPPARGTDP1
SCHEMBL11250454 0.93 NR1I2 (0.57) NR1I2ESR1PGRPPARGTDP1
SCHEMBL11250467 0.93 NR1I2 (0.57) NR1I2ESR1PGRPPARGTDP1
SCHEMBL10930664 0.93 NR1I2 (0.64) NR1I2ESR1PGRPPARGTDP1
SCHEMBL10930657 0.93 NR1I2 (0.64) NR1I2ESR1PGRPPARGTDP1
SCHEMBL11059582 0.93 ADRA1A (0.58) NR1I2ESR1PGRPPARGTDP1
SCHEMBL11055622 0.92 NR1I2 (0.56) NR1I2ESR1PGRPPARGTDP1
Sulfuric Acid SCHEMBL9513412 0.92 NR1I2 (0.56) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4338313-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-07-06 — — US claimed
EP-0027599-A2 Cephem compounds, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-29 — — EP claimed
EP-0303223-B1 Water-soluble antibiotic composition and water-soluble salts of new cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 1993-10-20 — — EP disclosed
US-5104866-A WATER-SOLUBLE ANTIBIOTIC COMPOSITION AND WATER-SOLUBLE SALTS OF CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-04-14 — — US disclosed
EP-0303223-A2 Water-soluble antibiotic composition and water-soluble salts of new cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-02-15 — — EP disclosed
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-4408042-A BACTERICIDAL CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-10-04 — — US disclosed
US-4338313-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-07-06 — — US disclosed
US-4332800-A BACTERICIDES CONTAINING 7-AMINOTHIADIAZOLE GROUPS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-06-01 — — 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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