SCHEMBL14037256

SCHEMBL14037256

CCC(C)(C)c1nnc(N)o1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.33
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL12511127 0.84 DPP4 (0.34) DPP4DPP7
SCHEMBL9712679 0.83 KDM4E (0.35) KDM4ENPC1RAB9AHSD17B10
SCHEMBL14457366 0.79 KDM4E (0.33) KDM4ENPC1RAB9AHSD17B10
SCHEMBL18862664 0.77 CNR2 (0.37)
SCHEMBL21233435 0.77 DPP4 (0.32) DPP4DPP7
SCHEMBL4079377 0.77 KDM4E (0.32) KDM4ENPC1RAB9AHSD17B10
SCHEMBL2678474 0.77 KDM4E (0.44) KDM4ENPC1RAB9A
SCHEMBL12299810 0.76 DPP4 (0.32) DPP4DPP7
SCHEMBL18643327 0.74 DPP4 (0.33) DPP4DPP7
SCHEMBL25419135 0.73 KDM4E (0.37) KDM4ENPC1RAB9A

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
WO-2008141011-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-11-20 WO disclosed