SCHEMBL5686902

SCHEMBL5686902

Cc1ccnc(Oc2ccc(O)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.50
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
LTA4H P09960 6/20 0.43
PPARG P37231 1/20 0.41
UHRF1 Q96T88 1/20 0.41
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.40
CRHR1 P34998 2/20 0.40
NR1H2 P55055 1/20 0.39
BAX Q07812 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL8237139 0.87 MEN1 (0.55) DRD1MEN1KMT2AUHRF1CCR1
SCHEMBL5690174 0.87 DRD1 (0.43) DRD1MEN1KMT2AESR1ESR2
SCHEMBL21581572 0.86 DRD1 (0.45) DRD1MEN1KMT2APPARGUHRF1
SCHEMBL12102072 0.82 DRD1 (0.50) DRD1MEN1KMT2APPARGUHRF1
SCHEMBL8277605 0.82 DRD1 (0.50) DRD1MEN1KMT2AUHRF1CCR1
SCHEMBL14103598 0.81 DRD1 (0.49) DRD1MEN1KMT2AUHRF1CCR1
SCHEMBL2904468 0.81 MEN1 (0.54) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL8285845 0.81 LOXL2 (0.57) DRD1MEN1KMT2AUHRF1CCR1
SCHEMBL21328434 0.81 PPARG (0.46) DRD1KMT2APPARGLOXL2MAPK1
SCHEMBL9792783 0.80 UHRF1 (0.54) DRD1MEN1KMT2AUHRF1CCR1

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
EP-1636209-A1 EPOXY COMPOUND AND CURED EPOXY RESIN PRODUCT Sumitomo Chemical Company, Limited (JP) 2006-03-22 EP disclosed
WO-2004113327-A1 EPOXY COMPOUND AND CURED EPOXY RESIN PRODUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-29 WO disclosed