SCHEMBL17033717

SCHEMBL17033717

c1ccc(-c2ccnc(-n3c4ccccc4c4ccc5c(nc6c7ccccc7c7ccccc7n56)c43)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
COMT P21964 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
PTPN1 P18031 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE5A O76074 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL17033541 0.91 KDM4E (0.35) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033696 0.86 KDM4E (0.32) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL17033476 0.86 KDM4E (0.33) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL17033881 0.85 KMO (0.35) TSHRPOLBSMN1; SMN2
SCHEMBL17033874 0.84 KMO (0.34) TSHRSMN1; SMN2
SCHEMBL16066334 0.83 KDM4E (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033494 0.83 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033678 0.83 GAA (0.36) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL17033431 0.83 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033892 0.83 PIK3CA (0.35) POLB

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
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed