SCHEMBL11839922

SCHEMBL11839922

CCCCNc1c([N+](=O)[O-])cc(C(=O)O)cc1S(N)(=O)=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.75
▸ GAA P10253 1/20 0.75
▸ HCAR3 P49019 4/20 0.57
▸ ALDH1A1 P00352 4/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ POLB P06746 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ SLC12A2 P55011 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ CISD1 Q9NZ45 7/20 0.46

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
SCHEMBL11844669 0.88 MAPT (0.57) MAPTGAAHCAR3ALDH1A1TDP1
SCHEMBL11846149 0.85 HCAR3 (0.58) MAPTGAAHCAR3ALDH1A1PKM
SCHEMBL7570478 0.82 MAPT (0.92) MAPTGAAHCAR3ALDH1A1TDP1
SCHEMBL11847155 0.82 KMT2A (0.55) MAPTGAAALDH1A1L3MBTL1PKM
SCHEMBL11845733 0.82 CA2 (0.56) MAPTGAAHCAR3ALDH1A1PKM
SCHEMBL11841120 0.80 MAPT (0.51) MAPTGAAHCAR3ALDH1A1POLB
SCHEMBL11851335 0.79 ALDH1A1 (0.58) MAPTGAAALDH1A1L3MBTL1POLB
SCHEMBL10540328 0.78 MAPT (0.83) MAPTGAAHCAR3ALDH1A1TDP1
SCHEMBL11842797 0.78 HCAR3 (0.53) MAPTGAAHCAR3ALDH1A1LMNA
SCHEMBL11841111 0.77 MAPT (0.48) MAPTGAAHCAR3ALDH1A1POLB

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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