SCHEMBL3841534

SCHEMBL3841534

COc1c(N)c(-c2ccccc2)c(-c2ccccc2)c(-c2c(OC)c(OC)c(N)c(-c3ccccc3)c2-c2ccccc2)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.50
PDE4A P27815 5/20 0.50
PDE4C Q08493 5/20 0.50
PDE4D Q08499 5/20 0.50
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.38
FYN P06241 1/20 0.36
PTPN1 P18031 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
POLB P06746 1/20 0.35
BRD4 O60885 1/20 0.35
TDO2 P48775 1/20 0.35
AKT2 P31751 1/20 0.35

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
SCHEMBL27880134 0.90 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL3841537 0.89 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL12181771 0.75 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL5030574 0.75 HSD17B10 (0.48) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL2069055 0.75 HSD17B10 (0.48) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL27903809 0.73 MAPT (0.46) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL31051457 0.73 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL31051463 0.73 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL19253225 0.73 HSD17B10 (0.46) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL1899394 0.73 HSD17B10 (0.46) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090235971-A1 PHOTOACTIVE DEVICE WITH ORGANIC LAYERS HELIATEK GMBH (DE) 2009-09-24 US disclosed
EP-1859494-A1 PHOTOACTIVE COMPONENT WITH ORGANIC LAYERS Technische Universität Dresden (DE) 2007-11-28 EP disclosed
WO-2006092135-A1 PHOTOACTIVE COMPONENT WITH ORGANIC LAYERS HELIATEK GMBH (DE) 2006-09-08 WO disclosed