SCHEMBL11850140

SCHEMBL11850140

Nc1cc(C(=O)O)cc(S(N)(=O)=O)c1Nc1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 2/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ GAA P10253 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ GFER P55789 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ THRB P10828 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ PKM P14618 1/20 0.44
▸ CA1 P00915 6/20 0.44
▸ CA2 P00918 6/20 0.44
▸ CA9 Q16790 4/20 0.44
▸ CA12 O43570 3/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CA3 P07451 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
SCHEMBL11846780 0.92 CDC25B (0.41) CDC25BKDM4EGAAMAPTGFER
SCHEMBL2883310 0.91 KDM4E (0.52) CDC25BKDM4EGAAMAPTGFER
SCHEMBL11846678 0.91 GAA (0.56) CDC25BKDM4EGAAMAPTGFER
SCHEMBL11850356 0.91 WDR5 (0.44) CDC25BKDM4EGAAMAPTGFER
SCHEMBL11780958 0.88 CA1 (0.55) KDM4EGAAMAPTGFERNPC1
SCHEMBL11850451 0.87 PKM (0.48) KDM4EGAAMAPTGFERNPC1
SCHEMBL11841970 0.84 AKR1C3 (0.45) KDM4EGAAMAPTHSD17B10ALDH1A1
SCHEMBL11842798 0.82 NPSR1 (0.44) CDC25BKDM4EGAAMAPTGFER
SCHEMBL11849602 0.80 MAPT (0.51) KDM4EGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL11849822 0.79 AKR1C3 (0.52) KDM4EGAAMAPTSMN1; SMN2ALDH1A1

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-3985777-A Sulphamyl-benzoic acid derivatives LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1976-10-12 — — US disclosed
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