SCHEMBL9016665

SCHEMBL9016665

CCO/N=C(\C(=O)NC1C(=O)N2C(C(=O)OCc3ccc(OC)cc3)=C(CCl)CS[C@H]12)c1nsc(N)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.53
▸ MAPT P10636 5/20 0.44
▸ NR1I2 O75469 4/20 0.44
▸ ALB P02768 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ SLC22A6 Q4U2R8 1/20 0.44
▸ SLC22A8 Q8TCC7 1/20 0.44
▸ SLC22A11 Q9NSA0 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ TDP1 Q9NUW8 7/20 0.43
▸ HSD17B10 Q99714 5/20 0.43
▸ APEX1 P27695 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ ABCC4 O15439 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL9016668 1.00 KCNH2 (0.53) KCNH2MAPTNR1I2ALBPPARG
SCHEMBL9587077 0.94 NR1I2 (0.51) KCNH2MAPTNR1I2ALBPPARG
SCHEMBL9587073 0.94 NR1I2 (0.51) KCNH2MAPTNR1I2ALBPPARG
SCHEMBL3111744 0.88 MAPT (0.43) KCNH2MAPTNR1I2ALBPPARG
SCHEMBL3111746 0.88 MAPT (0.43) KCNH2MAPTNR1I2ALBPPARG
SCHEMBL19707205 0.88 MAPT (0.43) KCNH2MAPTNR1I2ALBPPARG
SCHEMBL9781586 0.88 MAPT (0.50) KCNH2MAPTNR1I2ALBPPARG
SCHEMBL9781582 0.88 MAPT (0.50) KCNH2MAPTNR1I2ALBPPARG
SCHEMBL9366169 0.87 KCNH2 (0.41) KCNH2MAPTNR1I2ALBPPARG
SCHEMBL20869565 0.86 PTGS1 (0.47) KCNH2MAPTNR1I2ALBPPARG

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-0481441-B1 Novel cephem compounds, their preparation processes and antibacterial agents KYORIN SEIYAKU KK (JP) 1996-12-11 — — EP disclosed
US-5244892-A Pseudomonas KYORIN PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 — — US disclosed
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