SCHEMBL11082766

SCHEMBL11082766

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.47
▸ TDP1 Q9NUW8 4/20 0.47
▸ APAF1 O14727 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ PLCG1 P19174 1/20 0.47
▸ ABCC2 Q92887 1/20 0.47
▸ SIRT5 Q9NXA8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PSMD14 O00487 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ NR1I2 O75469 6/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ PPARG P37231 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ SLC22A6 Q4U2R8 2/20 0.45
▸ SLC22A8 Q8TCC7 2/20 0.45
▸ SLC22A11 Q9NSA0 2/20 0.45
▸ ALB P02768 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
SCHEMBL11082764 1.00 KCNH2 (0.47) KCNH2TDP1APAF1TSHRLMNA
SCHEMBL11087774 0.91 KCNH2 (0.48) KCNH2TDP1APAF1TSHRLMNA
SCHEMBL11087770 0.91 KCNH2 (0.48) KCNH2TDP1APAF1TSHRLMNA
SCHEMBL11084508 0.91 TDP1 (0.56) KCNH2TDP1APAF1TSHRLMNA
SCHEMBL11084504 0.91 TDP1 (0.56) KCNH2TDP1APAF1TSHRLMNA
SCHEMBL11089490 0.90 KCNH2 (0.49) KCNH2TDP1APAF1TSHRLMNA
SCHEMBL11089492 0.90 KCNH2 (0.49) KCNH2TDP1APAF1TSHRLMNA
SCHEMBL10644408 0.89 KCNH2 (0.52) KCNH2TDP1APAF1TSHRLMNA
SCHEMBL10644409 0.89 KCNH2 (0.52) KCNH2TDP1APAF1TSHRLMNA
SCHEMBL10643602 0.88 KCNH2 (0.52) KCNH2TDP1APAF1TSHRLMNA

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