SCHEMBL11842255

SCHEMBL11842255

Cc1ccccc1Nc1c([N+](=O)[O-])cc(C(=O)O)cc1S(N)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ POLB P06746 4/20 0.50
▸ MAPT P10636 7/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ HCAR3 P49019 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ GAA P10253 1/20 0.41

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
SCHEMBL11840971 0.88 MAPT (0.47) MEN1KMT2APOLBMAPTCYP1A2
SCHEMBL11842723 0.86 MAPT (0.63) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL2883308 0.85 HCAR3 (0.55) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL11852893 0.82 MEN1 (0.44) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL11843965 0.82 MAPT (0.51) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL11839665 0.81 MAPT (0.52) MEN1KMT2APOLBMAPTHCAR3
SCHEMBL11849602 0.80 MAPT (0.51) MEN1KMT2AMAPTALDH1A1HCAR3
SCHEMBL11844621 0.80 MEN1 (0.46) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL11848500 0.79 KMT2A (0.50) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL11836594 0.78 KMT2A (0.46) MEN1KMT2APOLBMAPTALDH1A1

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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