SCHEMBL4800829

SCHEMBL4800829

CN(C)CCCNc1ccc(C(F)(F)F)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNH2 Q12809 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.39
PRSS1 P07477 6/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RAD52 P43351 1/20 0.39

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
SCHEMBL7745728 0.91 ALDH1A1 (0.48) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL4800824 0.89 KCNH2 (0.42) MAPTKMT2AMEN1GAAKCNH2
SCHEMBL7191685 0.84 L3MBTL1 (0.49) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL11506360 0.84 ALDH1A1 (0.49) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL4781890 0.83 KCNH2 (0.47) MAPTKMT2AMEN1GAAL3MBTL1
SCHEMBL20198518 0.81 MAPT (0.47) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL7088249 0.81 SMN1; SMN2 (0.44) SMN1; SMN2PRSS1HDAC6
SCHEMBL356336 0.80 L3MBTL1 (0.51) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL5023620 0.80 ALDH1A1 (0.51) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL15585986 0.80 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2POLBPRSS1HDAC6

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-2008084218-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO disclosed