SCHEMBL8501585

SCHEMBL8501585

CNS(=O)(=O)c1ccc(C=[NH+][O-])o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA3 P07451 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CA5A P35218 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA13 Q8N1Q1 2/20 0.34
CA14 Q9ULX7 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.34
G6PD P11413 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL8501166 0.81 CA1 (0.31) CA1CA2CA7CA9
SCHEMBL7672294 0.77 CA9 (0.43) CA12CA1CA2CA7CA9
SCHEMBL7758331 0.77 CA1 (0.45) CA1CA2CA7CA9MEN1
SCHEMBL7673071 0.75 CA12 (0.38) SMN1; SMN2GAACA12CA1CA2
SCHEMBL7664608 0.72 CA12 (0.35) SMN1; SMN2GAACA12CA1CA2
SCHEMBL7671014 0.72 ALDH1A1 (0.36) SMN1; SMN2GAACA12CA1CA2
SCHEMBL8498723 0.71 LMNA (0.36) SMN1; SMN2GAALMNAALDH1A1PKM
SCHEMBL8498427 0.70 ATM (0.43) SMN1; SMN2MEN1POLBKMT2ALMNA
SCHEMBL7669753 0.70 CA12 (0.33) SMN1; SMN2GAACA12CA1CA2
SCHEMBL7665563 0.69 CA12 (0.33) CA12CA1CA2CA3CA4

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-5942507-A REAGANTS FOR DETECTION FREE RADICALS CENTAUR PHARMACEUTICALS, INC. (US) 1999-08-24 US disclosed