SCHEMBL10647489

SCHEMBL10647489

CSC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOC(C)C(=O)OC(C)(C)C)c3nsc(N)n3)[C@@H]2SC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.47
▸ NR1I2 O75469 6/20 0.42
▸ PPARG P37231 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ SLC22A6 Q4U2R8 2/20 0.42
▸ SLC22A8 Q8TCC7 2/20 0.42
▸ SLC22A11 Q9NSA0 2/20 0.42
▸ ALB P02768 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ TDP1 Q9NUW8 5/20 0.40
▸ APAF1 O14727 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ PLCG1 P19174 1/20 0.40
▸ ABCC2 Q92887 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PSMD14 O00487 1/20 0.39
▸ MMP2 P08253 1/20 0.39

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
SCHEMBL10647485 1.00 KCNH2 (0.47) KCNH2NR1I2PPARGMAPTSLC22A6
SCHEMBL10643906 0.92 KCNH2 (0.48) KCNH2NR1I2PPARGMAPTSLC22A6
SCHEMBL10643911 0.92 KCNH2 (0.48) KCNH2NR1I2PPARGMAPTSLC22A6
SCHEMBL9743714 0.88 TDP1 (0.54) KCNH2NR1I2PPARGMAPTSLC22A6
SCHEMBL9743721 0.88 TDP1 (0.54) KCNH2NR1I2PPARGMAPTSLC22A6
SCHEMBL10644408 0.88 KCNH2 (0.52) KCNH2NR1I2PPARGMAPTSLC22A6
SCHEMBL10644409 0.88 KCNH2 (0.52) KCNH2NR1I2PPARGMAPTSLC22A6
SCHEMBL10850526 0.87 MAPT (0.59) NR1I2PPARGMAPTSLC22A6SLC22A8
SCHEMBL10345817 0.86 NR1I2 (0.58) NR1I2PPARGMAPTSLC22A6SLC22A8
SCHEMBL10345814 0.86 NR1I2 (0.58) NR1I2PPARGMAPTSLC22A6SLC22A8

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-0057422-B1 NEW CEPHEM COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-10-12 — — EP disclosed
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