SCHEMBL11116306

SCHEMBL11116306

CCO/N=C(/C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3snc(O)c3C(=O)O)CS[C@H]12)c1nsc(N)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.54
▸ NR1I2 O75469 5/20 0.48
▸ PGR P06401 3/20 0.48
▸ PPARG P37231 2/20 0.47
▸ SLC22A6 Q4U2R8 2/20 0.47
▸ SLC22A8 Q8TCC7 2/20 0.47
▸ SLC22A11 Q9NSA0 2/20 0.47
▸ DAO P14920 1/20 0.47
▸ SNCA P37840 1/20 0.47
▸ CYP2J2 P51589 1/20 0.47
▸ ABCC4 O15439 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ ALB P02768 1/20 0.45
▸ TDP1 Q9NUW8 5/20 0.43
▸ APEX1 P27695 2/20 0.43
▸ APAF1 O14727 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL11116309 1.00 KCNH2 (0.54) KCNH2NR1I2PGRPPARGSLC22A6
SCHEMBL11033581 0.93 TDP1 (0.49) KCNH2NR1I2PGRPPARGSLC22A6
SCHEMBL11115080 0.90 NR1I2 (0.46) KCNH2NR1I2PGRPPARGSLC22A6
SCHEMBL11118306 0.90 NR1I2 (0.46) KCNH2NR1I2PGRPPARGSLC22A6
SCHEMBL11115828 0.90 NR1I2 (0.47) KCNH2NR1I2PGRPPARGSLC22A6
SCHEMBL11115825 0.90 NR1I2 (0.47) KCNH2NR1I2PGRPPARGSLC22A6
SCHEMBL11114990 0.89 KCNH2 (0.51) KCNH2NR1I2PGRPPARGSLC22A6
SCHEMBL11114989 0.89 KCNH2 (0.51) KCNH2NR1I2PGRPPARGSLC22A6
SCHEMBL11117950 0.88 NR1I2 (0.44) KCNH2NR1I2PGRPPARGSLC22A6
SCHEMBL11115023 0.88 NR1I2 (0.44) KCNH2NR1I2PGRPPARGSLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0118838-A2 New cephem compounds processes for preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-19 — — EP disclosed
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