SCHEMBL8842879

SCHEMBL8842879

Nc1c(-c2ccc(C(F)(F)F)cc2)nsc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
MAPK1 P28482 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAP2K4 P45985 3/20 0.42
MAPK6 Q16659 2/20 0.42
MAPKAPK3 Q16644 1/20 0.42
PLAU P00749 1/20 0.42
MAP4K4 O95819 1/20 0.41
KIF11 P52732 3/20 0.40
HSD17B10 Q99714 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
MAPKAPK5 Q8IW41 1/20 0.39

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
Amflutizole SCHEMBL395613 0.83 ALDH1A1 (0.52) ALDH1A1KDM4EKIF11
Amflutizole SCHEMBL29400347 0.83 ALDH1A1 (0.52) ALDH1A1KDM4EKIF11
SCHEMBL11000009 0.83 ALDH1A1 (0.55) MKNK1MKNK2MAPK1ALDH1A1KDM4E
SCHEMBL10994400 0.83 KDM4E (0.64) MAPK1ALDH1A1KDM4EHPGDNPC1
SCHEMBL11003366 0.81 ALDH1A1 (0.47) MAPK1ALDH1A1KDM4EHPGDNPC1
SCHEMBL11003982 0.80 MAPT (0.76) MKNK1MKNK2MAPK1ALDH1A1KDM4E
SCHEMBL11003416 0.80 ALDH1A1 (0.53) MAPK1ALDH1A1KDM4EHPGDNPC1
SCHEMBL11003497 0.80 RAB9A (0.47) MAPK1ALDH1A1KDM4EHPGDNPC1
SCHEMBL10994158 0.80 MAPT (0.47) MAPK1ALDH1A1KDM4EHPGDNPC1
SCHEMBL11000349 0.78 HPGD (0.51) MAPK1ALDH1A1KDM4EHPGDNPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674887-A Prevention of bone resorption ELI LILLY AND COMPANY (US) 1997-10-07 US disclosed
EP-0578477-B1 Treatment of inflammatory bowel disease LILLY CO ELI (US) 1996-06-19 EP disclosed
US-5436258-A Prevention of bone resorption ELI LILLY AND COMPANY (US) 1995-07-25 US disclosed
EP-0587378-A1 Prevention of bone resorption ELI LILLY AND COMPANY (US) 1994-03-16 EP disclosed
US-5294630-A Treatment of inflammatory bowel disease ELI LILLY AND COMPANY (US) 1994-03-15 US disclosed
EP-0578477-A1 Treatment of inflammatory bowel disease ELI LILLY AND COMPANY (US) 1994-01-12 EP disclosed
US-4544752-A TREATMENT OF GOUT; ANTIARTHRITIC AGENTS ELI LILLY AND COMPANY (US) 1985-10-01 US disclosed
EP-0048615-B1 IMPROVEMENTS IN OR RELATING TO 3-ARYL-5-ISOTHIAZOLE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-05-30 EP disclosed
US-4346094-A ENZYME INHIBITORS ELI LILLY AND COMPANY (US) 1982-08-24 US disclosed
EP-0048615-A1 Improvements in or relating to 3-aryl-5-isothiazole derivatives ELI LILLY AND COMPANY (US) 1982-03-31 EP disclosed