SCHEMBL19856927

SCHEMBL19856927

COc1cccnc1-c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](n2c(C(N)=O)cc3ccccc32)C(C)(C)C)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX5AP P20292 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
DGAT1 O75907 1/20 0.31
BTK Q06187 1/20 0.31
FFAR2 O15552 1/20 0.31
TGFBR1 P36897 1/20 0.31
TGFBR2 P37173 1/20 0.31
BACE1 P56817 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
SCHEMBL19856938 0.84 EIF4A3 (0.32) TGFBR1
SCHEMBL1931106 0.80 MGLL (0.34) TGFBR1TRPC6
SCHEMBL19856910 0.79 HCRTR2 (0.37) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL19856981 0.77 SIRT3 (0.38) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL19856991 0.77 SLC6A7 (0.37)
SCHEMBL19856960 0.77 PLA2G10 (0.38)
SCHEMBL19856930 0.76 HRH4 (0.39)
SCHEMBL1549343 0.76 HTR2C (0.37) PDE10ALCK
SCHEMBL19856902 0.76 HTR2C (0.37) PDE10ALCK
SCHEMBL19856988 0.75 NOD2 (0.41) KDM4EMEN1ALDH1A1PKMHTT

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-2925857-B1 USE OF TRPV4 ANTAGONISTS TO AMELIORATE HYDROCEPHALUS AND RELATED MATERIALS AND METHODS UNIV INDIANA RES & TECH CORP (US) 2018-02-14 EP claimed