SCHEMBL9366452

SCHEMBL9366452

CCO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCc3ccc(OC)cc3)=C(C=CCI)CS[C@@H]12)c1nsc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.39
▸ MAPT P10636 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ FAP Q12884 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PLCG1 P19174 2/20 0.37
▸ TDP1 Q9NUW8 5/20 0.35
▸ NR1I2 O75469 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ APAF1 O14727 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ ABCC2 Q92887 1/20 0.35
▸ SIRT5 Q9NXA8 1/20 0.35
▸ PSMD14 O00487 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
SCHEMBL9657484 0.95 MAPT (0.36) KCNH2MAPTALDH1A1FAPUSP2
SCHEMBL9367558 0.95 MAPT (0.41) MAPTALDH1A1FAPUSP2CYP3A4
SCHEMBL9367364 0.94 KCNH2 (0.39) KCNH2MAPTALDH1A1FAPUSP2
SCHEMBL9664526 0.94 MAPT (0.36) KCNH2MAPTALDH1A1FAPUSP2
SCHEMBL9658472 0.92 MAPT (0.36) MAPTALDH1A1FAPUSP2CYP3A4
SCHEMBL9658446 0.90 MAPT (0.36) KCNH2MAPTALDH1A1FAPUSP2
SCHEMBL9366127 0.89 MAPT (0.41) MAPTALDH1A1FAPUSP2CYP3A4
SCHEMBL9366169 0.89 KCNH2 (0.41) KCNH2MAPTALDH1A1FAPPLCG1
SCHEMBL9658687 0.89 MAPT (0.36) KCNH2MAPTALDH1A1FAPUSP2
SCHEMBL9657383 0.88 MAPT (0.36) KCNH2MAPTALDH1A1FAPUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5373000-A Antibacterial agent against both grampositive and gramnegative bacterias EISAI CO., LTD. (JP) 1994-12-13 — — US disclosed
EP-0329785-B1 CEPHALOSPORIN DERIVATIVES EISAI CO LTD (JP) 1994-11-30 — — EP disclosed
EP-0329785-A1 CEPHALOSPORIN DERIVATIVES Eisai Co., Ltd. (JP) 1989-08-30 — — EP disclosed
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