SCHEMBL10403237

SCHEMBL10403237

O=C(O)Cc1nnc([S])s1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.39
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GLS O94925 5/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AKT1 P31749 1/20 0.33
IRS1 P35568 1/20 0.33
GAB1 Q13480 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
APEX1 P27695 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL10769560 0.81 F2 (0.62) F2HTTHSD17B10ALDH1A1L3MBTL1
SCHEMBL10404082 0.76 F2 (0.39) F2HTTHSD17B10GLSALDH1A1
SCHEMBL1686855 0.74 F2 (0.70) F2HTTHSD17B10GLSALDH1A1
SCHEMBL2705929 0.74 GLS (0.45) F2HTTHSD17B10GLSALDH1A1
SCHEMBL10403239 0.74 F2 (0.39) F2HTTHSD17B10GLSALDH1A1
SCHEMBL5545037 0.74 SMN1; SMN2 (0.56) F2HTTHSD17B10ALDH1A1L3MBTL1
SCHEMBL9662773 0.74 F2 (0.39) F2HTTHSD17B10GLSALDH1A1
SCHEMBL9662768 0.74 F2 (0.36) F2HTTHSD17B10GLSALDH1A1
SCHEMBL9478953 0.69 L3MBTL1 (0.41) F2HTTHSD17B10ALDH1A1L3MBTL1
SCHEMBL5515009 0.69 LMNA (0.40) F2HTTHSD17B10ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed
EP-0070803-A2 Antibiotically active aminotriazolylcephalosporin derivatives and their preparation CIBA-GEIGY AG (CH) 1983-01-26 EP disclosed
US-4271296-A CEPHALOSPORINS AND DERIVATIVES SHIONOGI & CO., LTD. (JP) 1981-06-02 US disclosed
US-4271295-A HALOGENATION STEP SHIONOGI & CO., LTD. (JP) 1981-06-02 US disclosed
US-4233216-A INTERMEDIATES FOR OXADETHIACEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1980-11-11 US disclosed
US-4220766-A FROM PENICILLINS SHIONOGI & CO., LTD. (JP) 1980-09-02 US disclosed