SCHEMBL8559481

SCHEMBL8559481

COc1c(F)cccc1-c1oc(Cc2ccccc2)nc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
SCN9A Q15858 1/20 0.38
CCR4 P51679 1/20 0.38
GGT1 P19440 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC40A1 Q9NP59 2/20 0.35
EDNRA P25101 1/20 0.35
KAT7 O95251 1/20 0.35
KAT6B Q8WYB5 1/20 0.35
KAT6A Q92794 1/20 0.35

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
SCHEMBL8553792 0.88 MAPT (0.40) ALDH1A1MAPTCCR4GGT1TSHR
SCHEMBL8556636 0.88 MAPT (0.44) ALDH1A1MAPTTSHRKDM4ELMNA
SCHEMBL8556830 0.87 ALDH1A1 (0.42) ALDH1A1MAPTTSHRKDM4ELMNA
SCHEMBL8559800 0.85 SLC40A1 (0.45) ALDH1A1MAPTCCR4GGT1TSHR
SCHEMBL8557783 0.84 ALDH1A1 (0.45) ALDH1A1MAPTSCN9AGGT1TSHR
SCHEMBL8559996 0.84 CCNT1 (0.41) ALDH1A1MAPTSCN9ACCR4SMN1; SMN2
SCHEMBL8556822 0.83 PIK3CG (0.43) ALDH1A1MAPTGGT1PIK3CDPIK3CA
SCHEMBL8557879 0.83 MAPT (0.44) ALDH1A1MAPTTSHRKDM4ELMNA
SCHEMBL8560735 0.82 PTGS2 (0.43) ALDH1A1MAPTTSHRSMN1; SMN2PIK3CD
SCHEMBL8554227 0.82 CCNT1 (0.49) ALDH1A1MAPTSMN1; SMN2PIK3CDPIK3CA

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-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed