SCHEMBL8632158

SCHEMBL8632158

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
PTGS2 P35354 4/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
TSHR P16473 3/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
CCR4 P51679 1/20 0.34

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
SCHEMBL8632376 0.91 MAPT (0.38) MAPTMEN1KMT2ASMN1; SMN2PTGS2
SCHEMBL8629750 0.89 MAPT (0.46) MAPTMEN1KMT2ASMN1; SMN2PTGS2
SCHEMBL8629013 0.89 PPARA (0.39) MAPTPTGS2
SCHEMBL8630980 0.88 KMT2A (0.39) MAPTMEN1KMT2ASMN1; SMN2PTGS2
SCHEMBL8630525 0.87 CCR4 (0.41) MAPTMEN1KMT2ASMN1; SMN2PTGS2
SCHEMBL8627950 0.87 MAPT (0.38) MAPTMEN1KMT2ASMN1; SMN2PTGS2
SCHEMBL8628674 0.87 PTGS2 (0.44) MAPTMEN1KMT2APTGS2KDM4E
SCHEMBL8631537 0.86 EDNRB (0.41) MAPTMEN1KMT2ASMN1; SMN2PTGS2
SCHEMBL8628753 0.85 PTGS2 (0.46) MAPTMEN1KMT2ASMN1; SMN2PTGS2
SCHEMBL8633047 0.85 MAPT (0.40) MAPTMEN1KMT2ASMN1; SMN2PTGS2

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