SCHEMBL8973803

SCHEMBL8973803

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.60
▸ MAPT P10636 3/20 0.60
▸ ABCC4 O15439 1/20 0.60
▸ CNR1 P21554 1/20 0.60
▸ CTDSP1 Q9GZU7 1/20 0.60
▸ NR1I2 O75469 3/20 0.59
▸ HTR2C P28335 1/20 0.59
▸ ALB P02768 1/20 0.57
▸ PPARG P37231 1/20 0.57
▸ SLC22A6 Q4U2R8 1/20 0.57
▸ SLC22A8 Q8TCC7 1/20 0.57
▸ SLC22A11 Q9NSA0 1/20 0.57
▸ PTGS1 P23219 1/20 0.56
▸ APAF1 O14727 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ APEX1 P27695 1/20 0.55
▸ PLCG1 P19174 1/20 0.55
▸ ABCC2 Q92887 1/20 0.55
▸ SIRT5 Q9NXA8 1/20 0.55

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
SCHEMBL8973793 1.00 TDP1 (0.60) TDP1MAPTABCC4CNR1CTDSP1
Hydrochloric Acid SCHEMBL11006527 0.99 TDP1 (0.59) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL11569737 0.89 TDP1 (0.61) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL11569732 0.89 TDP1 (0.61) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL5327994 0.89 TDP1 (0.77) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL5487622 0.89 TDP1 (0.77) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL5487631 0.89 TDP1 (0.77) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL5328002 0.89 TDP1 (0.77) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL11468182 0.88 TDP1 (0.60) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL11568371 0.88 TDP1 (0.60) TDP1MAPTABCC4CNR1CTDSP1

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
US-4440766-A CEPHALOSPORINS; BACTERICIDES; MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-04-03 — — US claimed
US-5585485-A Cephalosporin intermediate products BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1996-12-17 — — US disclosed
US-5484928-A 2-(2-aminothiazol-4-yl)-2-oxoacetic acid derivatives BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1996-01-16 — — US disclosed
US-4201779-A 7[(2-Amino-thiazol-4-yl)glyoxylamido]-cephem derivatives and processes for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-06 — — US disclosed
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