SCHEMBL4257623

SCHEMBL4257623

CCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1-n1c(-c2ccccc2OCC)nc(-c2ccccc2)c1-c1ccccc1.c1ccc(-c2nc(-c3cccc4ccccc34)n(-c3ncc[nH]3)c2-c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.38
GUSB P08236 1/20 0.36
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDE10A Q9Y233 4/20 0.34
MAPK14 Q16539 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
FABP4 P15090 3/20 0.33
FABP5 Q01469 2/20 0.33
AKT1 P31749 2/20 0.33
AKT2 P31751 2/20 0.33
CTSA P10619 1/20 0.32
SLC6A9 P48067 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL62891 0.86 BCHE (0.40) KDM4EMGAMGAASIMGAM2
SCHEMBL29842269 0.80 AKT1 (0.43) ENPP1GUSBKDM4EALDH1A1PDE10A
SCHEMBL62462 0.80 AKT1 (0.43) ENPP1GUSBKDM4EALDH1A1PDE10A
SCHEMBL7049584 0.74 ALDH1A1 (0.43) HPGDKDM4EALDH1A1FABP4MAPT
SCHEMBL18037949 0.71 GUSB (0.40) ENPP1GUSBALDH1A1PDE10AMAPK14
SCHEMBL6360563 0.67 ALDH1A1 (0.59) HPGDKDM4EALDH1A1PDE10AMGAM
SCHEMBL31467270 0.67 ALDH1A1 (0.59) HPGDKDM4EALDH1A1PDE10AMGAM
SCHEMBL10823555 0.64 ENPP1 (0.57) ENPP1GUSBALDH1A1S1PR1S1PR3
SCHEMBL7047678 0.63 ADORA2A (0.50) HPGDALDH1A1PDE10AMAPTKMT2A
SCHEMBL7918453 0.62 AKT1 (0.39) GUSBHPGDKDM4EALDH1A1PDE10A

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
US-20090274979-A1 Device and method for removing overcoat of on-press developable lithographic plate TENG GARY GANGHUI 2009-11-05 US disclosed