SCHEMBL11084508

SCHEMBL11084508

COC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOCC(=O)O)c3nsc(N)n3)[C@@H]2SC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.56
▸ APAF1 O14727 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ APEX1 P27695 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ PLCG1 P19174 1/20 0.56
▸ ABCC2 Q92887 1/20 0.56
▸ SIRT5 Q9NXA8 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ PSMD14 O00487 1/20 0.55
▸ MMP2 P08253 1/20 0.55
▸ KCNH2 Q12809 1/20 0.51
▸ NR1I2 O75469 5/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ PPARG P37231 2/20 0.48
▸ SLC22A6 Q4U2R8 2/20 0.48
▸ SLC22A8 Q8TCC7 2/20 0.48
▸ SLC22A11 Q9NSA0 2/20 0.48
▸ ALB P02768 1/20 0.48

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
SCHEMBL11084504 1.00 TDP1 (0.56) TDP1APAF1TSHRAPEX1LMNA
SCHEMBL11390428 0.92 NR1I2 (0.56) TDP1TSHRAPEX1LMNAL3MBTL1
SCHEMBL11082764 0.91 KCNH2 (0.47) TDP1APAF1TSHRAPEX1LMNA
SCHEMBL11082766 0.91 KCNH2 (0.47) TDP1APAF1TSHRAPEX1LMNA
SCHEMBL11082844 0.90 TDP1 (0.57) TDP1APAF1TSHRAPEX1LMNA
SCHEMBL11082838 0.90 TDP1 (0.57) TDP1APAF1TSHRAPEX1LMNA
SCHEMBL11393196 0.89 TDP1 (0.51) TDP1APAF1TSHRAPEX1LMNA
SCHEMBL11082889 0.89 TDP1 (0.57) TDP1APAF1TSHRAPEX1LMNA
SCHEMBL11082901 0.89 TDP1 (0.57) TDP1APAF1TSHRAPEX1LMNA
SCHEMBL10643898 0.88 TDP1 (0.55) TDP1APAF1TSHRAPEX1LMNA

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-4425340-A ANTIBIOTICS, BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-01-10 — — US claimed
US-4425340-A ANTIBIOTICS, BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-01-10 — — US disclosed
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