SCHEMBL8555963

SCHEMBL8555963

Cc1ccc(-c2nc(Cc3ccccc3)oc2NS(=O)(=O)c2ccccc2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.45
EDNRB P24530 4/20 0.41
EDNRA P25101 4/20 0.41
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.39
SLC40A1 Q9NP59 4/20 0.39
PGR P06401 1/20 0.38
ITK Q08881 1/20 0.38
SCN9A Q15858 1/20 0.37

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
SCHEMBL8554836 0.90 ALDH1A1 (0.48) ALDH1A1MAPTLMNAEDNRBEDNRA
SCHEMBL8556399 0.90 MAPT (0.49) ALDH1A1MAPTLMNASLC40A1PGR
SCHEMBL8559359 0.88 ALDH1A1 (0.47) ALDH1A1MAPTLMNAEDNRBEDNRA
SCHEMBL8556753 0.88 ALDH1A1 (0.48) ALDH1A1MAPTLMNAEDNRBEDNRA
SCHEMBL8554218 0.87 ALDH1A1 (0.44) ALDH1A1MAPTLMNATSHRHPGD
SCHEMBL8557399 0.87 MAPT (0.49) ALDH1A1MAPTLMNAEDNRBEDNRA
SCHEMBL8553419 0.86 ALDH1A1 (0.50) ALDH1A1MAPTLMNAEDNRBEDNRA
SCHEMBL8556381 0.84 ALDH1A1 (0.47) ALDH1A1MAPTLMNAEDNRBEDNRA
SCHEMBL8556712 0.84 MAPT (0.42) ALDH1A1MAPTLMNATSHRHPGD
SCHEMBL8559381 0.83 ALDH1A1 (0.49) ALDH1A1MAPTLMNASLC40A1PGR

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