SCHEMBL10362093

SCHEMBL10362093

Nc1nc(C(=NOCC(=O)O)C(=O)NC2C(=O)N3C(OC(=O)O)=C(C=CC(F)(F)F)CS[C@@H]23)cs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 8/20 0.69
▸ APEX1 P27695 3/20 0.69
▸ APAF1 O14727 2/20 0.69
▸ LMNA P02545 2/20 0.69
▸ L3MBTL1 Q9Y468 2/20 0.69
▸ TSHR P16473 1/20 0.69
▸ PLCG1 P19174 1/20 0.69
▸ ABCC2 Q92887 1/20 0.69
▸ SIRT5 Q9NXA8 1/20 0.69
▸ PSMD14 O00487 1/20 0.68
▸ MMP2 P08253 1/20 0.68
▸ MAPT P10636 5/20 0.54
▸ ABCC4 O15439 2/20 0.54
▸ CNR1 P21554 1/20 0.54
▸ CTDSP1 Q9GZU7 1/20 0.54
▸ NR1I2 O75469 5/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ PPARG P37231 2/20 0.49
▸ ALB P02768 1/20 0.49
▸ SLC22A6 Q4U2R8 1/20 0.49

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
SCHEMBL10362853 0.91 NR1I2 (0.60) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10808207 0.91 TDP1 (0.81) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10361582 0.90 TDP1 (0.82) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10361583 0.90 TDP1 (0.82) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10529723 0.88 TDP1 (0.69) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10529853 0.88 TDP1 (0.69) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9515016 0.87 TDP1 (0.59) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10354133 0.86 MAPT (0.64) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL5712706 0.85 TDP1 (0.62) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10362100 0.85 TDP1 (0.55) TDP1APEX1APAF1LMNAL3MBTL1

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-0186586-B1 CEPHEM COMPOUNDS AND THE PRODUCTION THEREOF MEIJI SEIKA KAISHA LTD. (JP) 1990-09-26 — — EP claimed
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