SCHEMBL10645376

SCHEMBL10645376

CCSC1=C(OC(=O)O)N2C(=O)C(NC(=O)C(=NOCC(=O)O)c3cccc(N)n3)[C@@H]2SC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.48
▸ APAF1 O14727 2/20 0.48
▸ APEX1 P27695 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TSHR P16473 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
▸ NR1I2 O75469 6/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ PPARG P37231 3/20 0.40
▸ SLC22A6 Q4U2R8 2/20 0.40
▸ SLC22A8 Q8TCC7 2/20 0.40
▸ SLC22A11 Q9NSA0 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALB P02768 1/20 0.40
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL10645582 0.93 TDP1 (0.49) TDP1APAF1APEX1LMNATSHR
SCHEMBL10643176 0.90 TDP1 (0.56) TDP1APAF1APEX1LMNATSHR
SCHEMBL10643164 0.90 TDP1 (0.56) TDP1APAF1APEX1LMNATSHR
SCHEMBL10646034 0.88 TDP1 (0.63) TDP1APAF1APEX1LMNATSHR
SCHEMBL10647685 0.84 KCNH2 (0.51) TDP1APAF1APEX1LMNATSHR
SCHEMBL10645574 0.84 TDP1 (0.57) TDP1APAF1APEX1LMNATSHR
SCHEMBL10645591 0.84 TDP1 (0.57) TDP1APAF1APEX1LMNATSHR
SCHEMBL10643927 0.82 TDP1 (0.61) TDP1APAF1APEX1LMNATSHR
SCHEMBL10649777 0.82 TDP1 (0.47) TDP1APAF1APEX1LMNATSHR
SCHEMBL10649787 0.82 TDP1 (0.47) TDP1APAF1APEX1LMNATSHR

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
EP-0057422-B1 NEW CEPHEM COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-10-12 — — EP claimed
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