SCHEMBL11841111

SCHEMBL11841111

CCCCSc1c([N+](=O)[O-])cc(C(=O)O)cc1S(N)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ HCAR3 P49019 7/20 0.43
▸ CA2 P00918 3/20 0.40
▸ TPMT P51580 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ SLC12A2 P55011 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ APEX1 P27695 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ PLA2G4B P0C869 1/20 0.37

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
SCHEMBL11844695 0.82 CA2 (0.42) MAPTGAACA2LMNATSHR
SCHEMBL11841120 0.80 MAPT (0.51) MAPTGAAHCAR3CA2TPMT
SCHEMBL2741935 0.77 CA2 (0.39) GAAHCAR3CA2LMNATSHR
SCHEMBL2741850 0.77 CA2 (0.59) MAPTGAAHCAR3CA2LMNA
SCHEMBL11839922 0.77 MAPT (0.75) MAPTGAAHCAR3CA2LMNA
SCHEMBL11840687 0.76 MAPT (0.47) MAPTGAAHCAR3CA2TPMT
SCHEMBL2879281 0.75 MAPT (0.48) MAPTGAAHCAR3CA2LMNA
SCHEMBL2741851 0.74 CA2 (0.58) MAPTGAAHCAR3CA2LMNA
SCHEMBL2741936 0.74 CA2 (0.39) CA2LMNATSHRKDM4EUSP2
SCHEMBL11853571 0.73 CA2 (0.53) CA2LMNATSHRKDM4EUSP2

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
Send feedback