SCHEMBL21077916

SCHEMBL21077916

CC(C)COC(=O)N1CC=C(I)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
KIT P10721 1/20 0.39
RAB9A P51151 1/20 0.38
P2RX4 Q99571 1/20 0.38
HRH1 P35367 2/20 0.37
SLC6A15 Q9H2J7 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
HRH2 P25021 1/20 0.35
WDR5 P61964 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
PRMT5 O14744 3/20 0.34
WDR77 Q9BQA1 3/20 0.34
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
GPR119 Q8TDV5 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
SCHEMBL21077999 0.87 NOTUM (0.36) JAK2JAK1PRMT5WDR77
SCHEMBL21077854 0.84 MAPT (0.43) MEN1HPGDKMT2AALDH1A1TSHR
SCHEMBL14243068 0.84 MEN1 (0.40) MEN1HPGDKMT2AKITRAB9A
SCHEMBL19220891 0.82 MEN1 (0.40) MEN1HPGDKMT2AKITRAB9A
SCHEMBL17886591 0.81 MEN1 (0.39) MEN1HPGDKMT2AKITRAB9A
SCHEMBL21077858 0.81 POLB (0.38) SLC6A15ALDH1A1JAK2JAK1CHRM2
SCHEMBL3983201 0.79 KMT2A (0.43) MEN1HPGDKMT2AKITRAB9A
SCHEMBL21078133 0.78 L3MBTL1 (0.38) MEN1KMT2AALDH1A1TSHR
SCHEMBL21077993 0.77 POLB (0.42) MEN1KMT2ARAB9AALDH1A1
SCHEMBL21078141 0.77 GRM5 (0.37) MEN1HPGDKMT2AALDH1A1JAK2

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-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed