SCHEMBL8556830

SCHEMBL8556830

Cc1c(F)cccc1-c1oc(Cc2ccccc2)nc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
TSHR P16473 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 2/20 0.37
KMT2A Q03164 1/20 0.37
EDNRA P25101 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EDNRB P24530 1/20 0.36
HTR6 P50406 2/20 0.36
LIMK2 P53671 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
SCHEMBL8556636 0.90 MAPT (0.44) ALDH1A1MAPTTSHRKDM4EHSD17B10
SCHEMBL8555536 0.88 ALDH1A1 (0.42) ALDH1A1MAPTTSHRKDM4EHSD17B10
SCHEMBL8559481 0.87 ALDH1A1 (0.40) ALDH1A1MAPTTSHRKDM4EHSD17B10
SCHEMBL8555761 0.86 MAPT (0.46) ALDH1A1MAPTTSHRKDM4EHSD17B10
SCHEMBL8557879 0.86 MAPT (0.44) ALDH1A1MAPTTSHRKDM4EHSD17B10
SCHEMBL8561042 0.85 MAPT (0.42) ALDH1A1MAPTTSHRKDM4EHSD17B10
SCHEMBL8561427 0.84 ALDH1A1 (0.42) ALDH1A1MAPTTSHRKDM4EHPGD
SCHEMBL8555122 0.83 ALDH1A1 (0.47) ALDH1A1MAPTTSHRKDM4EHSD17B10
SCHEMBL8558352 0.82 MAPT (0.42) ALDH1A1MAPTTSHRKDM4ELMNA
SCHEMBL8561140 0.82 MAPT (0.41) ALDH1A1MAPTTSHRKDM4ELMNA

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