SCHEMBL11846678

SCHEMBL11846678

Cc1ccc(Nc2c(N)cc(C(=O)O)cc2S(N)(=O)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ MAPT P10636 4/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ GFER P55789 1/20 0.56
▸ HSD17B10 Q99714 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ THRB P10828 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ RCE1 Q9Y256 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ ELAVL1 Q15717 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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 0.91 CDC25B (0.46) GAAKDM4EMAPTSMN1; SMN2NPC1
SCHEMBL11846780 0.88 CDC25B (0.41) GAAKDM4EMAPTSMN1; SMN2NPC1
SCHEMBL2883310 0.88 KDM4E (0.52) GAAKDM4EMAPTSMN1; SMN2NPC1
SCHEMBL11780958 0.87 CA1 (0.55) GAAKDM4EMAPTSMN1; SMN2NPC1
SCHEMBL11850356 0.87 WDR5 (0.44) GAAKDM4EMAPTSMN1; SMN2NPC1
SCHEMBL11850451 0.86 PKM (0.48) GAAKDM4EMAPTSMN1; SMN2NPC1
SCHEMBL11842798 0.86 NPSR1 (0.44) GAAKDM4EMAPTSMN1; SMN2NPC1
SCHEMBL11854950 0.84 L3MBTL1 (0.48) GAAKDM4EMAPTSMN1; SMN2NPC1
SCHEMBL11843965 0.82 MAPT (0.51) GAAKDM4EMAPTSMN1; SMN2NPC1
SCHEMBL11841970 0.81 AKR1C3 (0.45) GAAKDM4EMAPTHSD17B10ALDH1A1

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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