SCHEMBL28008186

SCHEMBL28008186

CCn1c(-c2ccccc2)nc(-c2ccncc2)c1-c1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TEK Q02763 2/20 0.51
NSD3 Q9BZ95 1/20 0.48
FABP4 P15090 2/20 0.47
FABP5 Q01469 1/20 0.47
NLRP3 Q96P20 1/20 0.44
MAPK13 O15264 4/20 0.44
MAPK12 P53778 4/20 0.44
MAPK11 Q15759 4/20 0.44
MAPK14 Q16539 4/20 0.44
IDO1 P14902 1/20 0.44
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
GCGR P47871 2/20 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
SCHEMBL5198712 0.92 TEK (0.48) MEN1KMT2ATEKNSD3FABP4
SCHEMBL28207145 0.82 FABP4 (0.50) MEN1KMT2AFABP4FABP5NLRP3
Methyl Alcohol SCHEMBL27727314 0.81 FABP4 (0.53) MEN1KMT2ATEKFABP4FABP5
SCHEMBL5196144 0.81 MAPK13 (0.68) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL5197416 0.81 MEN1 (0.54) MEN1KMT2ATEKMAPK13MAPK12
SCHEMBL18152804 0.79 FABP4 (0.50) MEN1KMT2AFABP4FABP5NLRP3
SCHEMBL5200226 0.78 FABP4 (0.43) MEN1KMT2ATEKFABP4FABP5
SCHEMBL5198855 0.78 TEK (0.44) TEKFABP4FABP5MAPK13MAPK12
SCHEMBL18152846 0.77 TSHR (0.61) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8011287 0.76 TEK (0.43) MEN1KMT2ATEKFABP4FABP5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104876971-A Co (II) based metal organic framework as well as preparation method and application thereof UNIV SHANDONG NORMAL 2015-09-02 CN claimed
CN-104876971-A Co (II) based metal organic framework as well as preparation method and application thereof UNIV SHANDONG NORMAL 2015-09-02 CN disclosed