SCHEMBL8628006

SCHEMBL8628006

CCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(C)cc2)c1C

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
LMNA P02545 2/20 0.57
HTT P42858 1/20 0.57
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TSHR P16473 1/20 0.43
NPY5R Q15761 1/20 0.43
FPR1 P21462 2/20 0.42
MCL1 Q07820 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
SCHEMBL8632313 0.91 SMN1; SMN2 (0.58) SMN1; SMN2LMNAHTTMAPTMEN1
SCHEMBL8635571 0.88 PTGDR2 (0.48) SMN1; SMN2LMNAHTTMAPTMEN1
SCHEMBL8630036 0.86 SMN1; SMN2 (0.44) SMN1; SMN2LMNAHTTMAPTMEN1
SCHEMBL8631588 0.86 GAA (0.47) SMN1; SMN2LMNAHTTMAPTMEN1
SCHEMBL8634434 0.86 SMN1; SMN2 (0.45) SMN1; SMN2LMNAHTTMAPTMEN1
SCHEMBL8633689 0.86 SMN1; SMN2 (0.50) SMN1; SMN2LMNAHTTMAPTMEN1
SCHEMBL8629838 0.85 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHTTMAPTMEN1
SCHEMBL8632171 0.85 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHTTMAPTMEN1
SCHEMBL8630021 0.85 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHTTMAPTMEN1
SCHEMBL8629346 0.83 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTMAPTMEN1

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