SCHEMBL31305335

SCHEMBL31305335

C=CS(=O)(=O)c1cccc(N2C(=O)c3ccc(N)cc3C2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 8/20 0.50
▸ CA2 P00918 8/20 0.50
▸ CA9 Q16790 6/20 0.50
▸ CA12 O43570 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ CASP1 P29466 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ ANPEP P15144 2/20 0.48
▸ DPP4 P27487 1/20 0.48
▸ USP2 O75604 1/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44

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
SCHEMBL9468849 0.81 NPC1 (0.67) CA1CA2CA9CA12MEN1
SCHEMBL9566664 0.80 NPC1 (0.65) CA1CA2CA9CA12MEN1
SCHEMBL6581387 0.76 ALDH1A1 (0.59) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL27851603 0.76 NPC1 (0.42) CA1CA2CA9CA12MEN1
SCHEMBL4782142 0.75 ALDH1A1 (0.72) CA1CA2CA9CA12MEN1
SCHEMBL1376919 0.75 ALDH1A1 (0.62) CA1CA2CA9CA12KMT2A
SCHEMBL9566591 0.75 NPC1 (0.58) CA1CA2CA9CA12MEN1
SCHEMBL4230568 0.74 TYMS (0.61) CA1CA2CA9MEN1KMT2A
SCHEMBL8995319 0.73 CASP1 (0.86) CA1CA2CA9CA12MEN1
SCHEMBL9468558 0.73 TSHR (0.69) CA1CA2CA9CA12MEN1

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
CN-118922544-A EBV-associated malignancy-specific aptamer and use thereof in cancer imaging and treatment 香港中文大学 2024-11-08 — — CN disclosed
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