SCHEMBL9822248

SCHEMBL9822248

CC(O)c1nc2nc(C(=O)O)cc(S)n2n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL9822245 0.83 MEN1 (0.34) MEN1KMT2AALOX15TSHRHIF1A
SCHEMBL10407399 0.80 MEN1 (0.38) MEN1KMT2AALOX15TSHRHIF1A
SCHEMBL9822064 0.79 KMT2A (0.37) MEN1KMT2ATSHR
SCHEMBL10407057 0.75 KDM4E (0.38) MEN1KMT2AALOX15TSHRHIF1A
SCHEMBL9822234 0.75 HCAR2 (0.39) ALOX15TSHRHIF1AHCAR2
SCHEMBL9822276 0.74
SCHEMBL9822118 0.74 TSHR (0.34) MEN1KMT2AALOX15TSHRHIF1A
SCHEMBL10407103 0.72 ALOX15 (0.33) MEN1KMT2AALOX15TSHRHIF1A
SCHEMBL10407092 0.72 ALDH1A1 (0.41) MEN1KMT2AALOX15TSHRHIF1A
SCHEMBL9822033 0.71 RECQL (0.36) ALOX15TSHRHIF1A

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-4987129-A BACTERICIDES SANKEI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
US-4958019-A Intermediates for synthesis of cephalosporin compounds SANKEI PHARMACEUTICAL CO., LTD. (JP) 1990-09-18 US disclosed
US-4956462-A Bactericides, ANTIBIOTICS, CEPHALOSPORINS SANKEI PHARMACEUTICAL CO., LTD. (JP) 1990-09-11 US disclosed
EP-0302633-A2 Beta-lactam compound, process for preparing the same, intermediate for synthesis of the same and medicinal composition for bacterially infectious disease therapy containing the same SANKEI PHARMACEUTICAL COMPANY LIMITED (JP) 1989-02-08 EP disclosed