SCHEMBL8561399

SCHEMBL8561399

Cc1ccc(-c2nc(Cc3ccccc3)oc2NS(=O)(=O)c2ccccc2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.42
SLC40A1 Q9NP59 3/20 0.42
LIMK2 P53671 3/20 0.42
EDNRB P24530 5/20 0.40
EDNRA P25101 5/20 0.40
HPGD P15428 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
NMT1 P30419 1/20 0.38
MAPK1 P28482 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL9025734 0.94 ALDH1A1 (0.44) ALDH1A1MAPTLMNATSHRSLC40A1
SCHEMBL8556990 0.91 MAPT (0.47) ALDH1A1MAPTLMNATSHRSLC40A1
SCHEMBL8559259 0.91 MAPT (0.47) ALDH1A1MAPTLMNATSHRSLC40A1
SCHEMBL8557213 0.91 MAPT (0.47) ALDH1A1MAPTLMNATSHRSLC40A1
SCHEMBL8558062 0.91 ALDH1A1 (0.47) ALDH1A1MAPTLMNATSHRSLC40A1
SCHEMBL8560530 0.88 MAPT (0.52) ALDH1A1MAPTLMNATSHRLIMK2
SCHEMBL8555498 0.87 ALDH1A1 (0.49) ALDH1A1MAPTLMNATSHRSLC40A1
SCHEMBL8560356 0.87 ALDH1A1 (0.51) ALDH1A1MAPTLMNATSHRSLC40A1
SCHEMBL8556764 0.86 MAPT (0.54) ALDH1A1MAPTLMNATSHRSLC40A1
SCHEMBL8559393 0.85 KMO (0.47) ALDH1A1MAPTLMNATSHRSLC40A1

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