SCHEMBL10939621

SCHEMBL10939621

O=C(O)CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3ccc4nncn4n3)CS[C@H]12)c1cscn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.47
▸ APAF1 O14727 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ APEX1 P27695 2/20 0.47
▸ PLCG1 P19174 1/20 0.47
▸ ABCC2 Q92887 1/20 0.47
▸ SIRT5 Q9NXA8 1/20 0.47
▸ NR1I2 O75469 5/20 0.47
▸ PGR P06401 3/20 0.47
▸ PSMD14 O00487 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ HTR2C P28335 1/20 0.45
▸ SLC22A6 Q4U2R8 3/20 0.45
▸ SLC22A8 Q8TCC7 3/20 0.45
▸ SLC22A11 Q9NSA0 3/20 0.45
▸ PPARG P37231 2/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ DAO P14920 1/20 0.45

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
SCHEMBL10939630 1.00 TDP1 (0.47) TDP1APAF1L3MBTL1LMNATSHR
SCHEMBL10935690 0.92 NR1I2 (0.46) TDP1APAF1L3MBTL1LMNATSHR
SCHEMBL10935698 0.92 NR1I2 (0.46) TDP1APAF1L3MBTL1LMNATSHR
SCHEMBL10935302 0.90 NR1I2 (0.53) TDP1APAF1L3MBTL1LMNATSHR
SCHEMBL10935292 0.90 NR1I2 (0.53) TDP1APAF1L3MBTL1LMNATSHR
SCHEMBL10938948 0.86 NR1I2 (0.51) TDP1APAF1L3MBTL1LMNATSHR
SCHEMBL10938936 0.86 NR1I2 (0.51) TDP1APAF1L3MBTL1LMNATSHR
SCHEMBL10936875 0.84 NR1I2 (0.38) TDP1APEX1NR1I2PGRHTR2C
SCHEMBL10936869 0.84 NR1I2 (0.38) TDP1APEX1NR1I2PGRHTR2C
SCHEMBL10765284 0.83 NR1I2 (0.69) TDP1L3MBTL1LMNAAPEX1NR1I2

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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