SCHEMBL11842723

SCHEMBL11842723

COc1ccccc1Nc1c([N+](=O)[O-])cc(C(=O)O)cc1S(N)(=O)=O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ MAPK1 P28482 2/20 0.57
▸ KMT2A Q03164 6/20 0.51
▸ MEN1 O00255 5/20 0.51
▸ HPGD P15428 3/20 0.47
▸ PKM P14618 1/20 0.47
▸ RAD52 P43351 1/20 0.47
▸ FBP1 P09467 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL11842255 0.86 MEN1 (0.54) MAPTALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL11841459 0.84 PKM (0.52) MAPTALDH1A1SMN1; SMN2HPGDPKM
SCHEMBL11847173 0.82 MAPT (0.62) MAPTKMT2AMEN1HPGDFBP1
SCHEMBL2883308 0.82 HCAR3 (0.55) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL11840178 0.81 MAPT (0.60) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL11840971 0.79 MAPT (0.47) MAPTSMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL21436556 0.78 VCAM1 (0.50) MAPTALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL11849602 0.78 MAPT (0.51) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL11843965 0.77 MAPT (0.51) MAPTALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL11848500 0.77 KMT2A (0.50) MAPTALDH1A1SMN1; SMN2KMT2AMEN1

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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