SCHEMBL11040934

SCHEMBL11040934

COC(=O)CO/N=C(\C(=O)NC1C(=O)N2C=C(C[n+]3ccc(C(=O)[O-])cc3)CS[C@H]12)c1nsc(N)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.48
▸ NR1I2 O75469 3/20 0.40
▸ ESR1 P03372 2/20 0.40
▸ PGR P06401 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ TDP1 Q9NUW8 10/20 0.40
▸ HSD17B10 Q99714 6/20 0.40
▸ ADRA1A P35348 1/20 0.38
▸ MAPT P10636 5/20 0.36
▸ APEX1 P27695 4/20 0.36
▸ POLB P06746 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ PKM P14618 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ ABCC4 O15439 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ DRD2 P14416 1/20 0.35

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
SCHEMBL11040941 1.00 KCNH2 (0.48) KCNH2NR1I2ESR1PGRPPARG
SCHEMBL11040937 1.00 KCNH2 (0.48) KCNH2NR1I2ESR1PGRPPARG
SCHEMBL11039004 0.94 KCNH2 (0.49) KCNH2NR1I2ESR1PGRPPARG
SCHEMBL11039008 0.94 KCNH2 (0.49) KCNH2NR1I2ESR1PGRPPARG
SCHEMBL11039002 0.94 KCNH2 (0.49) KCNH2NR1I2ESR1PGRPPARG
SCHEMBL11037956 0.94 KCNH2 (0.46) KCNH2NR1I2ESR1PGRPPARG
SCHEMBL11037924 0.94 KCNH2 (0.46) KCNH2NR1I2ESR1PGRPPARG
SCHEMBL11037939 0.94 KCNH2 (0.46) KCNH2NR1I2ESR1PGRPPARG
SCHEMBL11040353 0.93 KCNH2 (0.47) KCNH2NR1I2ESR1PGRPPARG
SCHEMBL11040355 0.93 KCNH2 (0.47) KCNH2NR1I2ESR1PGRPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4381299-A 7-Amino-thiadiazole oxyimino derivatives of cephem and cepham compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-04-26 — — US claimed
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
US-4381299-A 7-Amino-thiadiazole oxyimino derivatives of cephem and cepham compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-04-26 — — US disclosed
EP-0064582-A1 Starting compounds for preparing cephem compounds and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-11-17 — — EP 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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