SCHEMBL11012468

SCHEMBL11012468

CCCON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(C)CS[C@@H]12)c1csc(N)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.67
▸ APEX1 P27695 3/20 0.67
▸ APAF1 O14727 2/20 0.67
▸ LMNA P02545 2/20 0.67
▸ L3MBTL1 Q9Y468 2/20 0.67
▸ TSHR P16473 1/20 0.67
▸ PLCG1 P19174 1/20 0.67
▸ ABCC2 Q92887 1/20 0.67
▸ SIRT5 Q9NXA8 1/20 0.67
▸ NR1I2 O75469 5/20 0.67
▸ HTR2C P28335 1/20 0.67
▸ PSMD14 O00487 1/20 0.66
▸ MMP2 P08253 1/20 0.66
▸ MAPT P10636 4/20 0.64
▸ PPARG P37231 2/20 0.64
▸ SLC22A6 Q4U2R8 2/20 0.64
▸ SLC22A8 Q8TCC7 2/20 0.64
▸ SLC22A11 Q9NSA0 2/20 0.64
▸ ALB P02768 1/20 0.64
▸ PTGS1 P23219 1/20 0.63

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
SCHEMBL11012454 1.00 TDP1 (0.67) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL11006313 0.94 TDP1 (0.64) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL11006310 0.94 TDP1 (0.64) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10740772 0.94 TDP1 (0.67) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10744447 0.94 TDP1 (0.67) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10740751 0.94 TDP1 (0.67) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10744457 0.94 TDP1 (0.67) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL29408821 0.92 TDP1 (0.79) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10419136 0.91 TDP1 (0.66) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10419135 0.91 TDP1 (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4493833-A BACTERICIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-01-15 — — US disclosed
US-4304770-A Syn-isomer of 3,7-disubstituted-3-cephem-4-carboxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 — — US disclosed
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