SCHEMBL11044057

SCHEMBL11044057

O=C(O)CON=C(C(=O)NC1C(=O)N2CC(CSc3ccc4nnnn4n3)(C(=O)O)CS[C@H]12)c1ncsn1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.32
▸ APAF1 O14727 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ PLCG1 P19174 1/20 0.32
▸ ABCC2 Q92887 1/20 0.32
▸ SIRT5 Q9NXA8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PSMD14 O00487 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ PGR P06401 1/20 0.31

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
SCHEMBL11046838 0.93 NR1I2 (0.30) NR1I2PGR
SCHEMBL10857288 0.90 KCNH2 (0.36) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10935306 0.89 NR1I2 (0.35) TDP1APAF1LMNATSHRAPEX1
SCHEMBL11040791 0.87 NR1I2 (0.40) TDP1APAF1LMNATSHRAPEX1
SCHEMBL11012770 0.86 TDP1 (0.47) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10838521 0.85 KCNH2 (0.42) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10829502 0.85 NR1I2 (0.39) TDP1TSHRAPEX1PSMD14MMP2
SCHEMBL10858019 0.84 KCNH2 (0.36) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10850531 0.84 KCNH2 (0.35) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10836934 0.84 NR1I2 (0.40) TDP1LMNAAPEX1L3MBTL1PSMD14

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-4463003-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-07-31 — — US claimed
US-4463003-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-07-31 — — US disclosed
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