SCHEMBL11844669

SCHEMBL11844669

CN(C)CCCNc1c([N+](=O)[O-])cc(C(=O)O)cc1S(N)(=O)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.57
▸ GAA P10253 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ HCAR3 P49019 7/20 0.43
▸ CHRM2 P08172 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL11839922 0.88 MAPT (0.75) MAPTGAAHCAR3ALDH1A1MEN1
SCHEMBL11848393 0.83 CA2 (0.43) MAPTGAASMN1; SMN2ALDH1A1MEN1
SCHEMBL11846149 0.82 HCAR3 (0.58) MAPTGAAHCAR3ALDH1A1MEN1
SCHEMBL11847155 0.79 KMT2A (0.55) MAPTGAASMN1; SMN2ALDH1A1MEN1
SCHEMBL11851335 0.76 ALDH1A1 (0.58) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL11842797 0.76 HCAR3 (0.53) MAPTGAAHCAR3ALDH1A1MEN1
SCHEMBL7570478 0.72 MAPT (0.92) MAPTGAAHCAR3ALDH1A1MEN1
SCHEMBL2883308 0.72 HCAR3 (0.55) MAPTSMN1; SMN2HCAR3ALDH1A1MEN1
SCHEMBL11849602 0.72 MAPT (0.51) MAPTGAASMN1; SMN2HCAR3ALDH1A1
SCHEMBL11843965 0.72 MAPT (0.51) MAPTGAASMN1; SMN2HCAR3ALDH1A1

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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