SCHEMBL11841970

SCHEMBL11841970

Nc1cc(C(=O)O)cc(S(N)(=O)=O)c1Nc1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.45
▸ CA2 P00918 6/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CA1 P00915 4/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ SIRT1 Q96EB6 1/20 0.43
▸ SIRT3 Q9NTG7 1/20 0.43
▸ SNCA P37840 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CA9 Q16790 4/20 0.41
▸ CA12 O43570 3/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ DUSP3 P51452 1/20 0.41
▸ PTPN5 P54829 1/20 0.41
▸ CASP7 P55210 1/20 0.41

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
SCHEMBL2883310 0.87 KDM4E (0.52) CA2ALDH1A1HSD17B10HPGDCA1
SCHEMBL11850140 0.84 CDC25B (0.46) CA2ALDH1A1HSD17B10HPGDCA1
SCHEMBL11848500 0.83 KMT2A (0.50) AKR1C3CA2ALDH1A1HPGDMRGPRX4
SCHEMBL11846780 0.82 CDC25B (0.41) CA2ALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL11849176 0.81 MRGPRX4 (0.54) AKR1C3CA2ALDH1A1HSD17B10HPGD
SCHEMBL11846678 0.81 GAA (0.56) AKR1C3CA2ALDH1A1HSD17B10HPGD
SCHEMBL11850356 0.81 WDR5 (0.44) AKR1C3CA2ALDH1A1HSD17B10HPGD
SCHEMBL11842798 0.81 NPSR1 (0.44) AKR1C3CA2ALDH1A1HSD17B10HPGD
SCHEMBL11850451 0.81 PKM (0.48) AKR1C3CA2ALDH1A1CA1CA9
SCHEMBL11845912 0.80 NPC1 (0.61) AKR1C3CA2ALDH1A1HSD17B10HPGD

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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