SCHEMBL10939642

SCHEMBL10939642

O=C(O)CON=C(C(=O)NC1C(=O)N2CC(CSc3ccc4nncn4n3)(C(=O)O)CS[C@H]12)c1cscn1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.35
▸ APAF1 O14727 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ PLCG1 P19174 1/20 0.35
▸ ABCC2 Q92887 1/20 0.35
▸ SIRT5 Q9NXA8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PSMD14 O00487 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ NR1I2 O75469 2/20 0.32
▸ PGR P06401 1/20 0.32
▸ HTR2C P28335 1/20 0.30

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
SCHEMBL10935707 0.94 NR1I2 (0.31) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10935306 0.91 NR1I2 (0.35) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10938969 0.86 TDP1 (0.36) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10938396 0.85 — —
SCHEMBL10935203 0.84 NR1I2 (0.34) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10673953 0.83 TDP1 (0.40) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10938846 0.82 TDP1 (0.37) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10939452 0.82 NR1I2 (0.46) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10939736 0.82 CTDSP1 (0.38) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10939630 0.81 TDP1 (0.47) TDP1APAF1LMNATSHRAPEX1

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
US-4499088-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-02-12 — — US disclosed
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