SCHEMBL8917789

SCHEMBL8917789

CN(C)c1ccc2c(ccc3c(C(F)F)nn(NS(=O)(=O)c4ccccc4)c32)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.38
NSD2 O96028 1/20 0.35
ALDH1A1 P00352 3/20 0.34
RECQL P46063 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8918176 0.85 CCR3 (0.36) MEN1KMT2A
SCHEMBL8917696 0.84 GAA (0.39) HTR6ALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL8918039 0.84 HSD17B1 (0.35) ALDH1A1SMN1; SMN2TDP1MEN1KMT2A
SCHEMBL8916300 0.84 MEN1 (0.39) HTR6KEAP1NFE2L2MAPTSMN1; SMN2
SCHEMBL8917165 0.82 CYP1A2 (0.31) LMNA
SCHEMBL8917402 0.80 SLC40A1 (0.40) MEN1KMT2A
SCHEMBL8920824 0.74 SLC40A1 (0.37) ALDH1A1KEAP1
SCHEMBL8921429 0.74 PTGS2 (0.42) NSD2
SCHEMBL8916155 0.73 HTR6 (0.36) HTR6ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL8917377 0.73 ALDH1A1 (0.36) HTR6ALDH1A1SMN1; SMN2KMT2A

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-5696143-A ARTHRITIS THERAPY G.D. SEARLE & CO. 1997-12-09 US disclosed