SCHEMBL10646029

SCHEMBL10646029

CSC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)C(=NOCC(=O)OC(C)(C)C)c3nsc(N)n3)[C@@H]2SC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.50
▸ TDP1 Q9NUW8 4/20 0.39
▸ APAF1 O14727 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ PLCG1 P19174 1/20 0.39
▸ ABCC2 Q92887 1/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PSMD14 O00487 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PTGS1 P23219 3/20 0.38
▸ NR1I2 O75469 3/20 0.38
▸ PPARG P37231 2/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ PGR P06401 1/20 0.38

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
SCHEMBL10646020 1.00 KCNH2 (0.50) KCNH2TDP1APAF1LMNATSHR
SCHEMBL9483294 0.90 TDP1 (0.51) KCNH2TDP1APAF1LMNATSHR
SCHEMBL9483310 0.90 TDP1 (0.51) KCNH2TDP1APAF1LMNATSHR
SCHEMBL10897232 0.89 KCNH2 (0.39) KCNH2TDP1APAF1LMNATSHR
SCHEMBL10646060 0.89 TDP1 (0.53) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10646054 0.89 TDP1 (0.53) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10644408 0.88 KCNH2 (0.52) KCNH2TDP1APAF1LMNATSHR
SCHEMBL10644409 0.88 KCNH2 (0.52) KCNH2TDP1APAF1LMNATSHR
SCHEMBL11055001 0.87 ABCC4 (0.48) KCNH2TDP1TSHRL3MBTL1CTDSP1
SCHEMBL11055004 0.87 ABCC4 (0.48) KCNH2TDP1TSHRL3MBTL1CTDSP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0057422-B1 NEW CEPHEM COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-10-12 — — EP disclosed
EP-0191507-A2 New 2-oxyimino-3-oxobutyric acid derivatives and process for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-08-20 — — EP disclosed
US-4452851-A BACTERICIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-06-05 — — US disclosed
EP-0057422-A2 New cephem compounds, processes for preparation thereof and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-08-11 — — EP disclosed
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