SCHEMBL21077858

SCHEMBL21077858

CCCOC(=O)N1CC=C(I)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CNR2 P34972 1/20 0.37
SLC6A15 Q9H2J7 2/20 0.36
SMYD3 Q9H7B4 2/20 0.36
PDE4B Q07343 1/20 0.34
MAPT P10636 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
OPRD1 P41143 1/20 0.33
GRM5 P41594 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 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
SCHEMBL21077854 0.89 MAPT (0.43) POLBLMNASMN1; SMN2MAPTTDP1
SCHEMBL17888273 0.83 SLC6A15 (0.39) POLBLMNASMN1; SMN2CNR2SLC6A15
SCHEMBL21077916 0.81 MEN1 (0.40) SLC6A15JAK2JAK1ALDH1A1CHRM2
SCHEMBL11578372 0.81 SMN1; SMN2 (0.37) POLBLMNASMN1; SMN2CNR2SLC6A15
SCHEMBL17886577 0.81 CNR2 (0.41) POLBLMNASMN1; SMN2CNR2SLC6A15
SCHEMBL21078133 0.79 L3MBTL1 (0.38) SMN1; SMN2MAPTALDH1A1GRM5
SCHEMBL21077999 0.79 NOTUM (0.36) JAK2JAK1GRM5
SCHEMBL21077805 0.78 FAAH (0.37) POLBLMNASMN1; SMN2MAPTJAK2
SCHEMBL21077987 0.78 PRSS1 (0.38) SLC6A15JAK2JAK1GRM5
SCHEMBL21078141 0.78 GRM5 (0.37) POLBSMN1; SMN2MAPTJAK2JAK1

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