SCHEMBL4374490

SCHEMBL4374490

N#Cc1cccc(C[C@@H](N)C(=O)N(O)S(=O)(=O)c2cc(F)c(Oc3ccc(F)cc3)c(F)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.39
DPP7 Q9UHL4 5/20 0.39
DPP9 Q86TI2 4/20 0.39
DPP8 Q6V1X1 2/20 0.39
FAP Q12884 1/20 0.39
SCN9A Q15858 4/20 0.36
ALOX5 P09917 1/20 0.36
MAOB P27338 1/20 0.35
TBXA2R P21731 2/20 0.35
ADAMTS4 O75173 1/20 0.35
MMP13 P45452 1/20 0.35
RORC P51449 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
FOLH1 Q04609 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
PIN1 Q13526 1/20 0.33

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
SCHEMBL4372598 0.83 NR3C1 (0.48) DPP4DPP7DPP9DPP8FAP
SCHEMBL4377255 0.82 MEP1B (0.36) MMP13
SCHEMBL4370550 0.77 HDAC6 (0.37) MMP13
SCHEMBL4382974 0.73 NR3C1 (0.53) ALOX5MMP13
SCHEMBL1799336 0.71 F2 (0.34)
SCHEMBL4372334 0.68 LTA4H (0.40) ALOX5ADAMTS4MMP13
SCHEMBL4372629 0.67 PKM (0.41) DPP4SCN9AMMP13
SCHEMBL2804528 0.67 DPP7 (0.43) DPP4DPP7DPP9DPP8FAP
SCHEMBL4293042 0.66 LTA4H (0.33) MMP13
Hydrochloric Acid SCHEMBL2804437 0.66 DPP7 (0.43) DPP4DPP7DPP9DPP8FAP

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
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP disclosed