SCHEMBL3628076

SCHEMBL3628076

CC(C)c1c(N)cccc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.44
FADS1 O60427 1/20 0.42
MMP2 P08253 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
CFTR P13569 1/20 0.40
PARP1 P09874 3/20 0.40
HTT P42858 1/20 0.39
METAP2 P50579 1/20 0.38
BRD4 O60885 1/20 0.38
GAA P10253 2/20 0.38
BCAT2 O15382 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL2977145 0.88 IRAK4 (0.50) IRAK4ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL5432823 0.85 MMP2 (0.55) FADS1MMP2ALDH1A1KDM4EHSD17B10
SCHEMBL8341665 0.83 FADS1 (0.41) IRAK4FADS1MMP2ALDH1A1KDM4E
SCHEMBL17786089 0.82 IRAK4 (0.44) IRAK4FADS1MMP2ALDH1A1KDM4E
SCHEMBL20425249 0.81 ALDH1A1 (0.49) IRAK4FADS1MMP2ALDH1A1KDM4E
SCHEMBL6951207 0.81 KDM4E (0.55) IRAK4ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL458410 0.81 IRAK4 (0.44) IRAK4ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL8340013 0.81 HTT (0.38) IRAK4FADS1MMP2ALDH1A1KDM4E
SCHEMBL1832020 0.81 IRAK4 (0.44) IRAK4MMP2ALDH1A1KDM4EHSD17B10
SCHEMBL30797325 0.81 IRAK4 (0.44) IRAK4ALDH1A1KDM4EHSD17B10MAPT

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-7838676-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-11-23 US disclosed