SCHEMBL30142930

SCHEMBL30142930

CC(O)c1cc(F)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.47
KCNH2 Q12809 3/20 0.43
HTR2A P28223 2/20 0.43
SLC6A4 P31645 2/20 0.43
PSEN1 P49768 5/20 0.41
PSEN2 P49810 5/20 0.41
APH1B Q8WW43 5/20 0.41
NCSTN Q92542 5/20 0.41
APH1A Q96BI3 5/20 0.41
PSENEN Q9NZ42 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
JAK2 O60674 4/20 0.38
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34

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
SCHEMBL23489650 1.00 PDE2A (0.47) PDE2AKCNH2HTR2ASLC6A4PSEN1
SCHEMBL2588946 1.00 PDE2A (0.47) PDE2AKCNH2HTR2ASLC6A4PSEN1
SCHEMBL17216071 1.00 PDE2A (0.47) PDE2AKCNH2HTR2ASLC6A4PSEN1
SCHEMBL29959441 0.85 PDE2A (0.59) PDE2AKCNH2HTR2ASLC6A4PSEN1
SCHEMBL10553613 0.85 PDE2A (0.59) PDE2AKCNH2HTR2ASLC6A4PSEN1
SCHEMBL23212834 0.85 PDE2A (0.59) PDE2AKCNH2HTR2ASLC6A4PSEN1
SCHEMBL17215540 0.85 PDE2A (0.59) PDE2AKCNH2HTR2ASLC6A4PSEN1
SCHEMBL423349 0.82 KCNH2 (0.45) KCNH2HTR2ASLC6A4PSEN1PSEN2
SCHEMBL16950756 0.80 KCNH2 (0.39) PDE2AKCNH2HTR2ASLC6A4PSEN1
SCHEMBL265533 0.80 CES2 (0.52) PDE2AKCNH2HTR2ASLC6A4PSEN1

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-112119070-B Selective JAK2 inhibitors and uses thereof 华东理工大学 2023-02-17 CN disclosed