SCHEMBL8633689

SCHEMBL8633689

CCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(C)cc2)c1CO

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 3/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
FPR1 P21462 3/20 0.42
MCL1 Q07820 1/20 0.41
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
TSHR P16473 1/20 0.41
NPY5R Q15761 1/20 0.41
EDNRA P25101 1/20 0.40
CA1 P00915 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL8629794 0.90 SMN1; SMN2 (0.46) SMN1; SMN2MAPTKMT2AMEN1KDM4E
SCHEMBL8634658 0.89 PTGS2 (0.46) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL8631693 0.87 MAPT (0.40) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL8634444 0.87 SMN1; SMN2 (0.42) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL8633612 0.87 GAA (0.45) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL8628006 0.86 SMN1; SMN2 (0.61) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL8630543 0.84 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL8630021 0.81 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL8629838 0.81 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL8632171 0.81 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHTTMAPTKMT2A

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-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed