SCHEMBL11843965

SCHEMBL11843965

Cc1ccc(Nc2c([N+](=O)[O-])cc(C(=O)O)cc2S(N)(=O)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ MEN1 O00255 5/20 0.51
▸ GAA P10253 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ XBP1 P17861 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ FBP1 P09467 1/20 0.46
▸ HCAR3 P49019 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 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
SCHEMBL11849602 0.92 MAPT (0.51) MAPTKMT2AMEN1GAALMNA
SCHEMBL11836594 0.89 KMT2A (0.46) MAPTKMT2AMEN1GAALMNA
SCHEMBL2883308 0.89 HCAR3 (0.55) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL11783509 0.89 MAPT (0.60) MAPTKMT2AMEN1GAALMNA
SCHEMBL11849870 0.88 KMT2A (0.45) MAPTKMT2AMEN1GAALMNA
SCHEMBL11840178 0.88 MAPT (0.60) MAPTKMT2AMEN1GAALMNA
SCHEMBL11839665 0.88 MAPT (0.52) MAPTKMT2AMEN1GAAPOLB
SCHEMBL11840971 0.85 MAPT (0.47) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL11848500 0.83 KMT2A (0.50) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL11842255 0.82 MEN1 (0.54) MAPTKMT2AMEN1GAALMNA

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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