SCHEMBL29138838

SCHEMBL29138838

O=CN1CCSC[C@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 2/20 0.34
HTR2C P28335 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP4 P27487 1/20 0.33
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL29138822 1.00 PRKCZ (0.34) PRKCZHTR2CLMNAGAAL3MBTL1
SCHEMBL29138868 1.00 PRKCZ (0.34) PRKCZHTR2CLMNAGAAL3MBTL1
SCHEMBL10345879 0.80 CHRNB2 (0.35) MEN1KMT2A
SCHEMBL28148132 0.78 PDE2A (0.40) PRKCZHTR2CMEN1KMT2A
SCHEMBL29236303 0.77 PDE2A (0.41) PRKCZHTR2CMEN1KMT2A
SCHEMBL29138927 0.74 HTR2C (0.43) HTR2C
SCHEMBL29138796 0.74 AKR1C3 (0.39) HTR2CLMNA
SCHEMBL29138918 0.74 AKR1C3 (0.39) HTR2CLMNA
SCHEMBL29138924 0.74 HTR2C (0.43) HTR2C
SCHEMBL29138870 0.74 AKR1C3 (0.39) HTR2CLMNA

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-116888120-A PRMTS inhibitors 美国安进公司 2023-10-13 CN disclosed