SCHEMBL8629346

SCHEMBL8629346

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TSHR P16473 1/20 0.39
NPY5R Q15761 1/20 0.39
PTGS2 P35354 2/20 0.39
FPR1 P21462 2/20 0.38
PTGS1 P23219 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MCL1 Q07820 1/20 0.37

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
SCHEMBL8630021 0.92 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHTTMAPTMEN1
SCHEMBL8628734 0.91 SMN1; SMN2 (0.44) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL8631027 0.90 PTGS2 (0.42) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL8629864 0.88 PTGS2 (0.42) SMN1; SMN2LMNAHTTMAPTMEN1
SCHEMBL8632826 0.88 PTGS2 (0.46) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL8632875 0.85 SMN1; SMN2 (0.50) SMN1; SMN2LMNAHTTMAPTMEN1
SCHEMBL8628006 0.83 SMN1; SMN2 (0.61) SMN1; SMN2LMNAHTTMAPTMEN1
SCHEMBL8629118 0.83 PTGS2 (0.57) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL8629095 0.83 MAPT (0.39) SMN1; SMN2HTTMAPTMEN1KMT2A
SCHEMBL8630539 0.82 PTGS2 (0.46) 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