SCHEMBL27851603

SCHEMBL27851603

C=CS(=O)(=O)c1cccc(N2C(=O)c3ccc(S(=O)(=O)O)c4c(N)c(S(=O)(=O)O)cc(c34)C2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CA1 P00915 7/20 0.38
▸ CA2 P00918 7/20 0.38
▸ CA12 O43570 5/20 0.38
▸ CA9 Q16790 5/20 0.38
▸ KMT2A Q03164 6/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ USP2 O75604 3/20 0.37
▸ KEAP1 Q14145 3/20 0.37
▸ NFE2L2 Q16236 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ CA7 P43166 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ESR1 P03372 1/20 0.34

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
SCHEMBL28451650 0.84 KMT2A (0.37) NPC1RAB9ACA1CA2CA12
SCHEMBL28898006 0.83 KMT2A (0.36) NPC1RAB9ACA1CA2CA12
SCHEMBL14502330 0.76 NPC1 (0.61) NPC1RAB9ACA1CA2CA12
SCHEMBL31305335 0.76 CA1 (0.50) NPC1RAB9ACA1CA2CA12
SCHEMBL13870630 0.75 KMT2A (0.39) NPC1RAB9ACA1CA2CA12
SCHEMBL1443489 0.75 CA1 (0.40) CA1CA2CA12CA9KMT2A
Lithium Ion SCHEMBL95351 0.74 CLTC (0.44) CA1CA2CA12CA9KMT2A
Lithium Ion SCHEMBL29875131 0.74 CLTC (0.44) CA1CA2CA12CA9KMT2A
SCHEMBL28312087 0.70 KMT2A (0.34) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL27429842 0.69 HEXA (0.43) NPC1RAB9ACA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116430055-A T cell immunological state marker combination for evaluating chronic pathological state of T lymphocyte of disease and application thereof 中南大学湘雅二医院 2023-07-14 — — CN disclosed
CN-108359719-A The detection method of gene imbalance 奎斯特诊断投资公司 2018-08-03 — — CN disclosed
CN-102459648-A Method for detecting gene disorder QUEST DIAGNOSTICS INVEST INC 2012-05-16 — — CN disclosed
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