SCHEMBL8637418

SCHEMBL8637418

CN(C)CCc1c(C(F)(F)F)nn(NS(=O)(=O)c2ccccc2)c1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR6 P50406 2/20 0.36
PTGS2 P35354 5/20 0.35
PTGS1 P23219 3/20 0.34
HDAC4 P56524 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
NMT1 P30419 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1B Q00975 1/20 0.33

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
SCHEMBL8638976 0.89 PTGS2 (0.37) PTGS2PTGS1HTTSMN1; SMN2NPSR1
SCHEMBL8638192 0.87 TAAR1 (0.42) PTGS2PTGS1SMN1; SMN2NPSR1LMNA
SCHEMBL8643560 0.83 HTT (0.39) MEN1KMT2APTGS2PTGS1HTT
SCHEMBL8639075 0.81 PTGS2 (0.41) PTGS2PTGS1NPSR1LMNAMAPT
SCHEMBL8688627 0.80 PTGS2 (0.44) PTGS2PTGS1SMN1; SMN2NPSR1LMNA
SCHEMBL8693949 0.79 PTGS1 (0.44) MEN1KMT2APTGS2PTGS1HTT
SCHEMBL8689171 0.78 PTGS2 (0.41) MEN1KMT2APTGS2PTGS1SMN1; SMN2
SCHEMBL8688468 0.78 PTGS2 (0.39) PTGS2PTGS1SMN1; SMN2NPSR1MAPT
SCHEMBL8689002 0.78 PTGS1 (0.55) PTGS2PTGS1HTTSMN1; SMN2
SCHEMBL8689174 0.76 ALDH1A1 (0.45) MEN1KMT2APTGS2PTGS1HTT

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-5753688-A ANTIINFLAMMATORY TALLEY JOHN J (US) 1998-05-19 US disclosed