SCHEMBL4553606

SCHEMBL4553606

CCCc1nc2c(C)cc(CCO)cc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.34
PRKCZ Q05513 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
POLB P06746 1/20 0.33
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR5 Q9H228 1/20 0.32
CACNA1H O95180 2/20 0.32
RAD52 P43351 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL3640946 0.90 ACACB (0.36) ACACBACACAKMT2AKDM4EALDH1A1
SCHEMBL19342748 0.83 KDM4E (0.44) ACACBACACAKMT2AKDM4EALDH1A1
SCHEMBL14855819 0.81 KMT2A (0.35) ACACBACACAKMT2AKDM4EALDH1A1
SCHEMBL1918148 0.77 EGLN1 (0.40) ACACBACACAKMT2AKDM4EALDH1A1
SCHEMBL158112 0.75 ACACB (0.45) ACACBACACAKMT2AKDM4EALDH1A1
SCHEMBL28048356 0.74 ACACB (0.44) ACACBACACAKMT2AKDM4EALDH1A1
SCHEMBL8848140 0.74 ACACB (0.44) ACACBACACAKMT2AKDM4EPRKCZ
SCHEMBL3712698 0.73 KMT2A (0.38) ACACBACACAKMT2AKDM4EALDH1A1
SCHEMBL17801869 0.73 KDM4E (0.38) ACACBACACAKMT2AKDM4EALDH1A1
SCHEMBL9754820 0.73 KMT2A (0.37) ACACBACACAKMT2AKDM4EALDH1A1

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-2009123483-A1 PROCESS FOR PREPARATION OF TELMISARTAN ZAKLADY FARMACEUTYCZNE POLPHARMA SA (PL) 2009-10-08 WO disclosed