SCHEMBL30007023

SCHEMBL30007023

CNC(=O)c1sc(Nc2nc(N(C)Cc3cc(OC)c(OC)c(OC)c3)cc(N3CCN(C)CC3)n2)nc1C

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.82
POLB P06746 2/20 0.39
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
BRD4 O60885 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AURKA O14965 3/20 0.35
AURKB Q96GD4 2/20 0.35
LMNA P02545 3/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ZAP70 P43403 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
SCHEMBL290562 0.92 PDE5A (0.84) PDE5APOLBALDH1A1TSHRMAPT
SCHEMBL28565167 0.90 PDE5A (1.00) PDE5AALDH1A1MAPTKDM4EMEN1
SCHEMBL29408518 0.90 PDE5A (1.00) PDE5AALDH1A1MAPTKDM4EMEN1
SCHEMBL6068236 0.85 PDE5A (0.88) PDE5APOLBALDH1A1MAPTKDM4E
SCHEMBL290215 0.85 PDE5A (0.73) PDE5APOLBALDH1A1MAPTKDM4E
SCHEMBL290923 0.84 PDE5A (0.72) PDE5APOLBMAPTAURKAAURKB
SCHEMBL29408513 0.83 PDE5A (0.84) PDE5APOLBALDH1A1MAPTKDM4E
SCHEMBL28570865 0.83 PDE5A (0.84) PDE5APOLBALDH1A1MAPTKDM4E
SCHEMBL290625 0.79 PDE5A (0.65) PDE5APOLBALDH1A1TSHRMAPT
SCHEMBL290600 0.79 PDE5A (0.64) PDE5AAURKA

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
CN-115192711-A Use of PDE7 inhibitors for the treatment of movement disorders 奥默罗斯公司 2022-10-18 CN disclosed