SCHEMBL11852448

SCHEMBL11852448

O=C(O)c1cc([N+](=O)[O-])c(Nc2ccccc2)c(S(=O)(=O)Nc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.54
▸ MAPT P10636 5/20 0.51
▸ PTK2B Q14289 1/20 0.51
▸ SLC25A1 P53007 1/20 0.50
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ POLB P06746 3/20 0.46
▸ HSP90AA1 P07900 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ BCL2L1 Q07817 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 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
SCHEMBL2883308 0.86 HCAR3 (0.55) HCAR3MAPTMEN1KMT2AALDH1A1
SCHEMBL10633977 0.84 HCAR3 (0.68) HCAR3MAPTMEN1KMT2AL3MBTL1
SCHEMBL11780616 0.82 PKM (0.59) HCAR3MAPTMEN1KMT2AL3MBTL1
SCHEMBL11846740 0.80 PTK2B (0.56) MAPTPTK2BMEN1KMT2AALDH1A1
SCHEMBL11849602 0.79 MAPT (0.51) HCAR3MAPTMEN1KMT2AALDH1A1
SCHEMBL11778823 0.78 MAPT (0.58) MAPTPTK2BMEN1KMT2AL3MBTL1
SCHEMBL11836594 0.77 KMT2A (0.46) HCAR3MAPTMEN1KMT2AALDH1A1
SCHEMBL11849870 0.76 KMT2A (0.45) HCAR3MAPTMEN1KMT2AALDH1A1
SCHEMBL11843965 0.76 MAPT (0.51) HCAR3MAPTMEN1KMT2AALDH1A1
SCHEMBL11839665 0.76 MAPT (0.52) HCAR3MAPTMEN1KMT2ASMN1; SMN2

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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