SCHEMBL11033581

SCHEMBL11033581

Nc1nc(/C(=N\OCC(=O)O)C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4snc(O)c4C(=O)O)CS[C@H]23)ns1.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.49
▸ APAF1 O14727 2/20 0.49
▸ APEX1 P27695 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ PLCG1 P19174 1/20 0.49
▸ ABCC2 Q92887 1/20 0.49
▸ SIRT5 Q9NXA8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ PSMD14 O00487 1/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ NR1I2 O75469 5/20 0.47
▸ PGR P06401 3/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ PPARG P37231 2/20 0.46
▸ SLC22A6 Q4U2R8 2/20 0.46
▸ SLC22A8 Q8TCC7 2/20 0.46
▸ SLC22A11 Q9NSA0 2/20 0.46
▸ DAO P14920 1/20 0.46
▸ SNCA P37840 1/20 0.46

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
SCHEMBL11114989 0.94 KCNH2 (0.51) TDP1APAF1APEX1TSHRLMNA
SCHEMBL11114990 0.94 KCNH2 (0.51) TDP1APAF1APEX1TSHRLMNA
SCHEMBL11116309 0.93 KCNH2 (0.54) TDP1APAF1APEX1TSHRLMNA
SCHEMBL11116306 0.93 KCNH2 (0.54) TDP1APAF1APEX1TSHRLMNA
SCHEMBL11115825 0.90 NR1I2 (0.47) TDP1APAF1APEX1TSHRLMNA
SCHEMBL11115828 0.90 NR1I2 (0.47) TDP1APAF1APEX1TSHRLMNA
SCHEMBL11115080 0.88 NR1I2 (0.46) TDP1APAF1APEX1TSHRLMNA
SCHEMBL11118306 0.88 NR1I2 (0.46) TDP1APAF1APEX1TSHRLMNA
SCHEMBL11033582 0.86 KCNH2 (0.51) TDP1APEX1LMNAL3MBTL1NR1I2
SCHEMBL10854206 0.85 NR1I2 (0.53) TDP1APAF1APEX1TSHRLMNA

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
JP-59161388-A — — None — — JP disclosed
JP-S59161388-A NOVEL CEPHEM COMPOUND AND ITS PREPARATION FUJISAWA PHARMACEUT CO LTD 1984-09-12 — — JP disclosed
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