SCHEMBL8630468

SCHEMBL8630468

CCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(OC)c(F)c2)c1C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PI4KB Q9UBF8 6/20 0.42
HTR6 P50406 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
KDM1A O60341 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
ACLY P53396 1/20 0.39
TSHR P16473 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
SCHEMBL8630396 0.90 PI4KB (0.44) MAPTPI4KBPTGS1PTGS2
SCHEMBL8635028 0.89 PI4KB (0.40) SMN1; SMN2MAPTMEN1KMT2API4KB
SCHEMBL8629938 0.89 ACLY (0.41) MEN1KMT2API4KBHTR6PTGS1
SCHEMBL8635623 0.89 PI4KB (0.44) MAPTMEN1KMT2API4KBHTR6
SCHEMBL8634271 0.88 PTGS2 (0.41) SMN1; SMN2MAPTMEN1KMT2API4KB
SCHEMBL8631745 0.88 PTGS2 (0.41) SMN1; SMN2MAPTMEN1KMT2API4KB
SCHEMBL8631448 0.88 SMN1; SMN2 (0.40) SMN1; SMN2MAPTMEN1KMT2API4KB
SCHEMBL8635601 0.87 ACLY (0.46) SMN1; SMN2MAPTMEN1KMT2API4KB
SCHEMBL8629095 0.86 MAPT (0.39) SMN1; SMN2MAPTMEN1KMT2API4KB
SCHEMBL8628006 0.81 SMN1; SMN2 (0.61) SMN1; SMN2MAPTMEN1KMT2AALDH1A1

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