SCHEMBL11840178

SCHEMBL11840178

COc1ccc(Nc2c([N+](=O)[O-])cc(C(=O)O)cc2S(N)(=O)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.60
▸ AKR1C3 P42330 3/20 0.55
▸ AKR1C2 P52895 3/20 0.55
▸ HPGD P15428 3/20 0.49
▸ GAA P10253 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ AKR1B10 O60218 1/20 0.47
▸ AKR1B1 P15121 1/20 0.47
▸ AKR1C4 P17516 1/20 0.47
▸ AKR1C1 Q04828 1/20 0.47
▸ CTSV O60911 1/20 0.47
▸ CTSL P07711 1/20 0.47
▸ ALDH3A1 P30838 1/20 0.46
▸ TPMT P51580 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ MAPK1 P28482 1/20 0.45

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 0.89 MAPT (0.51) MAPTAKR1C3AKR1C2GAAMEN1
SCHEMBL11847173 0.89 MAPT (0.62) MAPTAKR1C3AKR1C2HPGDGAA
SCHEMBL11843965 0.88 MAPT (0.51) MAPTAKR1C3AKR1C2GAAMEN1
SCHEMBL11836594 0.86 KMT2A (0.46) MAPTGAAMEN1KMT2ALMNA
SCHEMBL2883308 0.86 HCAR3 (0.55) MAPTAKR1C3AKR1C2MEN1KMT2A
SCHEMBL11783509 0.86 MAPT (0.60) MAPTGAAMEN1KMT2ALMNA
SCHEMBL11849870 0.85 KMT2A (0.45) MAPTGAAMEN1KMT2ALMNA
SCHEMBL11850451 0.83 PKM (0.48) MAPTAKR1C3AKR1C2GAAALDH1A1
SCHEMBL11848500 0.83 KMT2A (0.50) MAPTAKR1C3HPGDMEN1KMT2A
SCHEMBL21436556 0.82 VCAM1 (0.50) MAPTAKR1C3AKR1C2GAAMEN1

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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