SCHEMBL10403035

SCHEMBL10403035

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.37
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA5B Q9Y2D0 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL10402168 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL10403037 0.78 CA1 (0.32) CA1CA2CA4CA5ACA5B
SCHEMBL10403871 0.74 POLB (0.44) KMT2AALDH1A1
SCHEMBL10770478 0.74 APEX1 (0.33) CA1CA2CA4CA5ACA5B
SCHEMBL10770477 0.72 ALDH1A1 (0.32) CA1CA2CA4CA5ACA5B
SCHEMBL10403137 0.72 KMT2A (0.37) KMT2A
SCHEMBL10403367 0.71 ALDH1A1 (0.57) KMT2AALDH1A1
SCHEMBL10401915 0.71 GAA (0.50) KMT2AALDH1A1
SCHEMBL10402147 0.69 ALDH1A1 (0.33) CA1CA2CA4CA5ACA5B
SCHEMBL25364962 0.66 CA1 (0.35) CA1CA2CA4CA5ACA5B

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-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 — — US disclosed
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