SCHEMBL10401059

SCHEMBL10401059

C=CC1=C(C(=O)O)N2C(=O)C(NC(=O)/C(=N\OC(c3ccccc3)(c3ccccc3)c3ccccc3)c3csc(N)n3)[C@@H]2SC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.75
▸ APAF1 O14727 2/20 0.75
▸ LMNA P02545 1/20 0.75
▸ TSHR P16473 1/20 0.75
▸ APEX1 P27695 1/20 0.75
▸ PLCG1 P19174 1/20 0.75
▸ ABCC2 Q92887 1/20 0.75
▸ SIRT5 Q9NXA8 1/20 0.75
▸ L3MBTL1 Q9Y468 1/20 0.75
▸ MAPT P10636 3/20 0.74
▸ PSMD14 O00487 1/20 0.74
▸ MMP2 P08253 1/20 0.74
▸ ABCC4 O15439 1/20 0.74
▸ CNR1 P21554 1/20 0.74
▸ CTDSP1 Q9GZU7 1/20 0.74
▸ NR1I2 O75469 6/20 0.58
▸ HTR2C P28335 1/20 0.58
▸ HPGD P15428 1/20 0.56
▸ PPARG P37231 2/20 0.56
▸ ALB P02768 1/20 0.56

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
SCHEMBL4627396 1.00 TDP1 (0.75) TDP1APAF1LMNATSHRAPEX1
SCHEMBL14600780 1.00 TDP1 (0.75) TDP1APAF1LMNATSHRAPEX1
SCHEMBL4124254 1.00 TDP1 (0.75) TDP1APAF1LMNATSHRAPEX1
SCHEMBL4124260 1.00 TDP1 (0.75) TDP1APAF1LMNATSHRAPEX1
SCHEMBL4627402 1.00 TDP1 (0.75) TDP1APAF1LMNATSHRAPEX1
SCHEMBL4141299 1.00 TDP1 (0.75) TDP1APAF1LMNATSHRAPEX1
SCHEMBL4141307 1.00 TDP1 (0.75) TDP1APAF1LMNATSHRAPEX1
SCHEMBL5494777 1.00 TDP1 (0.75) TDP1APAF1LMNATSHRAPEX1
SCHEMBL3299039 0.94 TDP1 (0.67) TDP1APAF1LMNATSHRAPEX1
SCHEMBL4132476 0.94 TDP1 (0.67) TDP1APAF1LMNATSHRAPEX1

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-4935508-A Acylation of 7-aminocephalosporin with alkyl 2-(2-amino-thiazol-4-yl)-2-oximinoacetate BRISTOL-MYERS COMPANY (US) 1990-06-19 — — US disclosed
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