SCHEMBL31040271

SCHEMBL31040271

CN(C)S(=O)(=O)n1cnc(C(O)c2ccc(N)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
CYP19A1 P11511 1/20 0.30
SORD Q00796 2/20 0.30
ALDH1A1 P00352 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
SCHEMBL7100550 0.86 CA1 (0.40) HTTSORDALDH1A1
SCHEMBL31040273 0.83 CA12 (0.42) HTTCYP19A1ALDH1A1
SCHEMBL3747956 0.80 UGT2B7 (0.39)
SCHEMBL31531675 0.77 HTT (0.40) HTTSORD
SCHEMBL7098632 0.76 CA1 (0.32) HTT
SCHEMBL7166942 0.76 MEN1 (0.38) HTTALDH1A1
SCHEMBL4828602 0.74 IDO1 (0.37) HTTALDH1A1
SCHEMBL7100452 0.74 KMT2A (0.44) HTTALDH1A1
SCHEMBL9876151 0.74 HTT (0.36) HTTALDH1A1
SCHEMBL7688500 0.73 TSHR (0.38) HTTALDH1A1

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
WO-2024120466-A1 MONOSACCARIDES, PHARMACEUTICAL COMPOSITIONS, AND DIAGNOSTIC AND THERAPEUTIC APPLICATIONS SURIO THERAPEUTICS CO., LTD (CN) 2024-06-13 WO disclosed