SCHEMBL10598563

SCHEMBL10598563

C=CCON=C(C(=O)NC1C(=O)N2C=C(C[n+]3ccccc3)CS[C@@H]12)c1nsc(NP(=O)(O)O)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ APAF1 O14727 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ PLCG1 P19174 1/20 0.34
▸ ABCC2 Q92887 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PSMD14 O00487 1/20 0.34
▸ MMP2 P08253 1/20 0.34

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
SCHEMBL10602278 0.93 KCNH2 (0.40) NR1I2ESR1PGRPPARGTDP1
SCHEMBL10603547 0.93 NR1I2 (0.36) NR1I2ESR1PGRPPARGTDP1
SCHEMBL10604222 0.92 KCNH2 (0.36) NR1I2ESR1PGRPPARGTDP1
SCHEMBL10601230 0.92 KCNH2 (0.37) NR1I2ESR1PGRPPARGTDP1
SCHEMBL10580908 0.91 NR1I2 (0.37) NR1I2ESR1PGRPPARGTDP1
SCHEMBL11038925 0.88 KCNH2 (0.44) NR1I2ESR1PGRPPARGTDP1
SCHEMBL10600827 0.87 KCNH2 (0.41) NR1I2ESR1PGRPPARGTDP1
SCHEMBL10602189 0.85 NR1I2 (0.46) NR1I2ESR1PGRPPARGTDP1
SCHEMBL10602193 0.84 NR1I2 (0.41) NR1I2ESR1PGRPPARGTDP1
SCHEMBL9639208 0.84 NR1I2 (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0099553-B1 CEPHEM COMPOUNDS, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-09-27 — — EP claimed
EP-0099553-B1 CEPHEM COMPOUNDS, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-09-27 — — EP disclosed
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