SCHEMBL11839665

SCHEMBL11839665

Cc1cccc(Nc2c([N+](=O)[O-])cc(C(=O)O)cc2S(N)(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.52
▸ FBP1 P09467 1/20 0.48
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ HPGD P15428 1/20 0.44
▸ HCAR3 P49019 1/20 0.44
▸ ALOX5 P09917 1/20 0.42
▸ AKR1C4 P17516 3/20 0.42
▸ AKR1C3 P42330 3/20 0.42
▸ AKR1C2 P52895 3/20 0.42
▸ AKR1C1 Q04828 3/20 0.42
▸ AKR1B10 O60218 1/20 0.42
▸ AKR1B1 P15121 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ AR P10275 1/20 0.42
▸ TSHR P16473 1/20 0.40

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
SCHEMBL2883308 0.89 HCAR3 (0.55) MAPTKMT2AMEN1TDP1HCAR3
SCHEMBL11843965 0.88 MAPT (0.51) MAPTFBP1KMT2AMEN1MAPK1
SCHEMBL11847173 0.86 MAPT (0.62) MAPTFBP1KMT2AMEN1HPGD
SCHEMBL11849835 0.84 AKR1C3 (0.54) MAPTFBP1KMT2AMEN1MAPK1
SCHEMBL11849602 0.84 MAPT (0.51) MAPTKMT2AMEN1TDP1HCAR3
SCHEMBL11842798 0.83 NPSR1 (0.44) MAPTKMT2AMEN1TDP1MAPK1
SCHEMBL11840971 0.83 MAPT (0.47) MAPTKMT2AMEN1TDP1MAPK1
SCHEMBL11848500 0.83 KMT2A (0.50) MAPTKMT2AMEN1TDP1HTT
SCHEMBL11836594 0.82 KMT2A (0.46) MAPTKMT2AMEN1TDP1MAPK1
SCHEMBL11783509 0.81 MAPT (0.60) MAPTKMT2AMEN1MAPK1HTT

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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