SCHEMBL28286332

SCHEMBL28286332

c1ccc(COc2ccccc2-c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.70
PDE4A P27815 1/20 0.70
PDE4B Q07343 1/20 0.70
PDE4C Q08493 1/20 0.70
PDE4D Q08499 1/20 0.70
AMY1A P0DUB6 1/20 0.52
RAB9A P51151 8/20 0.51
NPC1 O15118 7/20 0.51
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
KDM4E B2RXH2 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
HPGD P15428 2/20 0.51
PKM P14618 2/20 0.51
HSD17B10 Q99714 2/20 0.51
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
GLA P06280 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL30835050 1.00 PDE5A (0.70) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL17685693 0.83 AMY1A (0.60) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL12088079 0.82 PDE5A (0.68) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL465513 0.82 PDE5A (0.62) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL15226860 0.80 PDE4A (0.47) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL10745905 0.80 AMY1A (0.53) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL2310980 0.79 ALDH1A1 (0.54) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL38656902 0.78 AMY1A (0.56) PDE5AAMY1ARAB9ANPC1ALDH1A1
SCHEMBL5619518 0.77 DHODH (0.79) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL18898887 0.77 NPC1 (0.63) PDE5AAMY1ARAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112961102-B Metal complex and electron transport material using the same 大电株式会社 2024-03-12 CN disclosed
CN-109689665-B Metal complex and electron transport material using the same 大电株式会社 2021-10-01 CN disclosed
CN-112961102-A Metal complex and electron transport material using the same 大电株式会社 2021-06-15 CN disclosed
CN-109689665-A Metal complex and electron transport material using the same 大电株式会社 2019-04-26 CN disclosed