SCHEMBL30829012

SCHEMBL30829012

COc1cnc(C2CC2)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.46
MAPT P10636 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.39
PLA2G1B P04054 1/20 0.39
POLB P06746 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36

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
SCHEMBL14722589 0.82 PDE10A (0.43) PDE10AALDH1A1HPGDPDGFRBPDGFRA
SCHEMBL16838271 0.76 PDE10A (0.55) PDE10A
SCHEMBL3017328 0.75 PDE10A (0.48) PDE10A
SCHEMBL145005 0.72 ALDH1A1 (0.55) MAPTL3MBTL1TDP1MEN1CYP1A2
SCHEMBL29556850 0.72 ALDH1A1 (0.55) MAPTL3MBTL1TDP1MEN1CYP1A2
SCHEMBL15819369 0.72 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2PDGFRBPDGFRA
SCHEMBL26647275 0.72 P2RX3 (0.41) PDE10A
SCHEMBL25283172 0.71 ALDH1A1 (0.46) PDE10AKMT2AALDH1A1SMN1; SMN2PDGFRB
SCHEMBL4419825 0.71 PDE10A (0.59) PDE10ACYP2D6PDE4DPDE4APDE4B
SCHEMBL6623235 0.71 MAPT (0.45) MAPTL3MBTL1TDP1MEN1CYP1A2

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-117794529-A POLO-like kinase 4 inhibitors 欧瑞克制药公司 2024-03-29 CN disclosed