SCHEMBL11848006

SCHEMBL11848006

Cc1ccccc1Sc1c([N+](=O)[O-])cc(C(=O)O)cc1S(N)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.44
▸ MAPT P10636 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ POLB P06746 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ TPMT P51580 1/20 0.38
▸ CASP6 P55212 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
SCHEMBL2879281 0.85 MAPT (0.48) MAPTLMNAHTTGAAPOLB
SCHEMBL11845199 0.82 KDM4E (0.41) TSHRLMNAGAAPOLBL3MBTL1
SCHEMBL11849579 0.76 CISD1 (0.48) TSHRLMNAPOLBL3MBTL1ALDH1A1
SCHEMBL11842255 0.76 MEN1 (0.54) TSHRMAPTLMNAHTTGAA
SCHEMBL2883320 0.76 MAPT (0.49) MAPTLMNAHTTGAAPOLB
SCHEMBL11800233 0.75 PAX8 (0.44) MAPTLMNAHTTGAAL3MBTL1
SCHEMBL11851310 0.73 POLB (0.48) TSHRLMNAPOLBALDH1A1MEN1
SCHEMBL11841111 0.73 MAPT (0.48) TSHRMAPTLMNAGAAPOLB
SCHEMBL11842282 0.72 POLB (0.49) TSHRMAPTLMNAHTTGAA
SCHEMBL16581035 0.71 LMNA (0.51) TSHRMAPTLMNAPOLBALDH1A1

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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