SCHEMBL8554218

SCHEMBL8554218

COc1ccc(-c2nc(Cc3ccccc3)oc2NS(=O)(=O)c2ccccc2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.43
GGT1 P19440 1/20 0.42
SLC40A1 Q9NP59 1/20 0.41
HPGD P15428 1/20 0.41
AVPR2 P30518 1/20 0.41
GPR27 Q9NS67 1/20 0.41
TP53 P04637 2/20 0.40
PGR P06401 2/20 0.40
KMT2A Q03164 2/20 0.39
BCAT1 P54687 1/20 0.39
MEN1 O00255 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CKS1B P61024 1/20 0.39
SKP2 Q13309 1/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8557661 0.89 ALDH1A1 (0.45) ALDH1A1MAPTLMNAGGT1SLC40A1
SCHEMBL8556318 0.89 ALDH1A1 (0.44) ALDH1A1MAPTLMNAGGT1SLC40A1
SCHEMBL8560689 0.87 ALDH1A1 (0.45) ALDH1A1MAPTLMNAGGT1SLC40A1
SCHEMBL8555963 0.87 ALDH1A1 (0.47) ALDH1A1MAPTLMNASLC40A1HPGD
SCHEMBL8556399 0.87 MAPT (0.49) ALDH1A1MAPTLMNASLC40A1PGR
SCHEMBL8560880 0.85 MAPT (0.48) ALDH1A1MAPTLMNASLC40A1AVPR2
SCHEMBL8555293 0.85 PIK3CG (0.43) ALDH1A1MAPTLMNAGGT1SLC40A1
SCHEMBL8557399 0.85 MAPT (0.49) ALDH1A1MAPTLMNASLC40A1HPGD
SCHEMBL8553397 0.84 ALDH1A1 (0.49) ALDH1A1MAPTLMNAGGT1SLC40A1
SCHEMBL8555983 0.83 ALDH1A1 (0.45) ALDH1A1MAPTLMNAGGT1SLC40A1

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