SCHEMBL8409058

SCHEMBL8409058

Cc1nccn1-c1ccc(Sc2cc(F)cc(NC(=O)C3CCOCC3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.47
MAPK10 P53779 4/20 0.43
MAPK14 Q16539 4/20 0.43
MAPK8 P45983 3/20 0.43
MAP4K4 O95819 1/20 0.43
PIP5K1C O60331 2/20 0.40
PIK3CA P42336 2/20 0.40
TP53 P04637 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL6438927 0.87 ALOX5 (0.57) ALOX5MAPK10MAPK14MAPK8MAP4K4
SCHEMBL8410817 0.86 MAP4K4 (0.41) MAPK10MAPK14MAPK8MAP4K4PIP5K1C
SCHEMBL8409250 0.82 ALOX5 (0.62) ALOX5
Hydrochloric Acid SCHEMBL8411350 0.81 ALOX5 (0.61) ALOX5
SCHEMBL8409240 0.76 MAPK8 (0.39) ALOX5MAPK10MAPK14MAPK8MAP4K4
SCHEMBL8413218 0.74 ALOX5 (0.53) ALOX5
SCHEMBL8179150 0.74 ALOX5 (0.77) ALOX5ALDH1A1
Hydrochloric Acid SCHEMBL3061917 0.73 ALOX5 (0.76) ALOX5ALDH1A1
SCHEMBL8412085 0.73 ALOX5 (0.55) ALOX5
SCHEMBL8411616 0.73 ALOX5 (0.55) ALOX5

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-5883106-A 5-lipoxygenase inhibitors PFIZER INC. (US) 1999-03-16 US disclosed