SCHEMBL11087770

SCHEMBL11087770

CC1=C(C(=O)O)N2C(=O)C(NC(=O)/C(=N\OCC(=O)OC(C)(C)C)c3nsc(N)n3)[C@H]2SC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.48
▸ TDP1 Q9NUW8 4/20 0.48
▸ APAF1 O14727 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ PLCG1 P19174 1/20 0.48
▸ ABCC2 Q92887 1/20 0.48
▸ SIRT5 Q9NXA8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PSMD14 O00487 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ NR1I2 O75469 2/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ MAPK1 P28482 2/20 0.45
▸ MAPT P10636 3/20 0.44
▸ ALB P02768 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ SLC22A6 Q4U2R8 1/20 0.44

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
SCHEMBL11087774 1.00 KCNH2 (0.48) KCNH2TDP1APAF1LMNATSHR
SCHEMBL11089492 0.92 KCNH2 (0.49) KCNH2TDP1APAF1LMNATSHR
SCHEMBL11089490 0.92 KCNH2 (0.49) KCNH2TDP1APAF1LMNATSHR
SCHEMBL11082764 0.91 KCNH2 (0.47) KCNH2TDP1APAF1LMNATSHR
SCHEMBL11082766 0.91 KCNH2 (0.47) KCNH2TDP1APAF1LMNATSHR
SCHEMBL11082844 0.91 TDP1 (0.57) KCNH2TDP1APAF1LMNATSHR
SCHEMBL11082838 0.91 TDP1 (0.57) KCNH2TDP1APAF1LMNATSHR
SCHEMBL10644409 0.90 KCNH2 (0.52) KCNH2TDP1APAF1LMNATSHR
SCHEMBL10644408 0.90 KCNH2 (0.52) KCNH2TDP1APAF1LMNATSHR
SCHEMBL10643602 0.89 KCNH2 (0.52) KCNH2TDP1APAF1LMNATSHR

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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