SCHEMBL11846780

SCHEMBL11846780

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ GAA P10253 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ GFER P55789 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ THRB P10828 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ CA1 P00915 6/20 0.39
▸ CA2 P00918 6/20 0.39
▸ HTT P42858 1/20 0.38

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
SCHEMBL11850140 0.92 CDC25B (0.46) CDC25BKDM4EGAAMAPTGFER
SCHEMBL2883310 0.89 KDM4E (0.52) CDC25BKDM4EGAAMAPTGFER
SCHEMBL11846678 0.88 GAA (0.56) CDC25BKDM4EGAAMAPTGFER
SCHEMBL11850356 0.88 WDR5 (0.44) CDC25BKDM4EGAAMAPTGFER
SCHEMBL11780958 0.86 CA1 (0.55) KDM4EGAAMAPTGFERNPC1
SCHEMBL11850451 0.85 PKM (0.48) KDM4EGAAMAPTGFERNPC1
SCHEMBL11841970 0.82 AKR1C3 (0.45) KDM4EGAAMAPTALDH1A1THRB
SCHEMBL11836594 0.81 KMT2A (0.46) KDM4EGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL11842798 0.80 NPSR1 (0.44) CDC25BKDM4EGAAMAPTGFER
SCHEMBL11849822 0.77 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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