SCHEMBL7918453

SCHEMBL7918453

CCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1C1(c2ccccc2OCC)NC(c2ccccc2)=C(c2ccccc2)N1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.39
AKT2 P31751 5/20 0.39
GUSB P08236 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MGAM O43451 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
FABP4 P15090 2/20 0.35
FABP5 Q01469 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MAPT P10636 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL29514957 0.80 GAA (0.38) AKT1AKT2GUSBALDH1A1MGAM
SCHEMBL4191996 0.80 GAA (0.38) AKT1AKT2GUSBALDH1A1MGAM
SCHEMBL7912164 0.76 HSD11B1 (0.36) AKT1AKT2ALDH1A1HPGDNPC1
SCHEMBL62462 0.76 AKT1 (0.43) AKT1AKT2GUSBALDH1A1MGAM
SCHEMBL29842269 0.76 AKT1 (0.43) AKT1AKT2GUSBALDH1A1MGAM
SCHEMBL16355185 0.76 KDM4E (0.43) AKT1AKT2ALDH1A1MGAMGAA
SCHEMBL18037949 0.70 GUSB (0.40) AKT1AKT2GUSBALDH1A1MGAM
SCHEMBL23816808 0.68 MEN1 (0.37) AKT1AKT2ALDH1A1GAAKDM4E
SCHEMBL29514758 0.66 KDM4E (0.48) AKT1AKT2ALDH1A1MGAMGAA
SCHEMBL23816971 0.65 MCHR1 (0.33) ALDH1A1GAAKDM4E

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-6180323-B1 PREPARING PHOTOPOLYMERIZABLE ELEMENT COMPRISING SUPPORT AND PHOTOPOLYMERIZABLE FORMULATION; APPLYING TO COPPER CLAD SUBSTRATE; IMAGEWISE EXPOSING TO ACTINIC RADIATION; DEVELOPING TO FORM RESIST IMAGE ON COPPER CLAD SUBSTRATE E. I. DU PONT DE NEMOURS AND COMPANY 2001-01-30 US disclosed