SCHEMBL11501438

SCHEMBL11501438

Cc1cc(Nc2ccc(O)c3cccc(S(=O)(=O)O)c23)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.52
CHAT P28329 1/20 0.46
AKR1C4 P17516 3/20 0.44
AKR1C3 P42330 3/20 0.44
AKR1C2 P52895 3/20 0.44
AKR1C1 Q04828 3/20 0.44
ALDH3A1 P30838 1/20 0.42
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
DNMT1 P26358 1/20 0.41
DNMT3A Q9Y6K1 1/20 0.41
CTSB P07858 1/20 0.41
HPSE Q9Y251 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
AR P10275 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL11501439 0.84 SNCA (0.50) SNCACHATAKR1C4AKR1C3AKR1C2
SCHEMBL10823414 0.79 SNCA (0.52) SNCACHATMEN1THRBKMT2A
SCHEMBL11422142 0.79 MAPT (0.52) MEN1KMT2AHPSESMN1; SMN2ALDH1A1
SCHEMBL11348600 0.78 SNCA (0.51) SNCACHATMEN1THRBKMT2A
SCHEMBL10422834 0.78 CTSB (0.54) MEN1THRBKMT2ADNMT1DNMT3A
SCHEMBL11433945 0.78 HPGD (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL11431850 0.77 HPGD (0.62) MEN1KMT2AHPSESMN1; SMN2ALDH1A1
SCHEMBL10823526 0.76 SNCA (0.47) SNCACHATMEN1THRBKMT2A
SCHEMBL11431851 0.75 KCNMA1 (0.53) SNCAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL11346496 0.74 HPSE (0.47) SNCACHATMEN1THRBKMT2A

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-4216166-A Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 US disclosed