SCHEMBL17935482

SCHEMBL17935482

Cc1ccc(O)c(CN(C)Cc2ccccc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.60
ALDH1A1 P00352 7/20 0.60
HPGD P15428 4/20 0.60
KMT2A Q03164 3/20 0.52
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
GFER P55789 1/20 0.45
RAB9A P51151 1/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
ACHE P22303 3/20 0.44
MEN1 O00255 2/20 0.43
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
BCHE P06276 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
CARM1 Q86X55 1/20 0.41

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
SCHEMBL19762005 0.81 ALDH1A1 (0.56) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL18997999 0.80 HSP90AA1 (0.48) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL11403516 0.78 KDM4E (0.62) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL17935432 0.78 KDM4E (0.53) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL6379173 0.77 KDM4E (0.97) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL18550512 0.75 KDM4E (0.54) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL17935215 0.73 KDM4E (0.62) KDM4EALDH1A1HPGDKMT2AHSD17B10
Dibemethine SCHEMBL10542007 0.73 ALDH1A1 (0.70) KDM4EALDH1A1KMT2AUSP2GAA
Dibemethine SCHEMBL276863 0.73 ALDH1A1 (0.70) KDM4EALDH1A1KMT2AUSP2GAA
SCHEMBL12060877 0.72 ALDH1A1 (0.53) KDM4EALDH1A1HPGDKMT2AUSP2

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-2016113169-A1 TETRA- AND PENTASUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-07-21 WO disclosed