SCHEMBL6400128

SCHEMBL6400128

CC(Cc1ccc(F)c(F)c1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.44
DPP7 Q9UHL4 2/20 0.42
EPHX1 P07099 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
RIPK1 Q13546 1/20 0.40
MAPK8 P45983 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
PIN1 Q13526 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
DPP8 Q6V1X1 2/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CHRNA1 P02708 1/20 0.36

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
SCHEMBL6003686 0.84 TBXAS1 (0.44) DPP4MAOAMAOBRIPK1PIN1
SCHEMBL6003677 0.84 TBXAS1 (0.44) DPP4MAOAMAOBRIPK1PIN1
SCHEMBL6005325 0.84 TBXAS1 (0.44) DPP4MAOAMAOBRIPK1PIN1
SCHEMBL31067929 0.84 TBXAS1 (0.44) DPP4MAOAMAOBRIPK1PIN1
SCHEMBL15881633 0.83 LDHA (0.51)
SCHEMBL15881661 0.83 LDHA (0.55)
SCHEMBL15881697 0.83 EPHX1 (0.54) EPHX1
SCHEMBL2739147 0.81 DPP4 (0.48) DPP4DPP7MAOAMAOBMAPK8
SCHEMBL370923 0.81 DPP4 (0.45) DPP4DPP7MAOAMAOBRIPK1
SCHEMBL18492879 0.81 DPP4 (0.48) DPP4DPP7MAOAMAOBMAPK8

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-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 US disclosed