SCHEMBL29669152

SCHEMBL29669152

CC[C@H](O)c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.53
LMNA P02545 1/20 0.50
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
CYP3A4 P08684 5/20 0.44
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.42
CYP2D6 P10635 4/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 4/20 0.39
KCNH2 Q12809 4/20 0.39
CNR2 P34972 1/20 0.39
MC4R P32245 4/20 0.38
KCNQ2 O43526 1/20 0.38

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
SCHEMBL20237842 1.00 PDE2A (0.53) PDE2ALMNACES2CES1CYP3A4
SCHEMBL7983483 1.00 PDE2A (0.53) PDE2ALMNACES2CES1CYP3A4
SCHEMBL5107133 0.84 LMNA (0.61) PDE2ALMNATSHRCYP2D6
SCHEMBL5107136 0.84 LMNA (0.61) PDE2ALMNATSHRCYP2D6
SCHEMBL30172716 0.84 LMNA (0.61) PDE2ALMNATSHRCYP2D6
SCHEMBL5107130 0.84 LMNA (0.61) PDE2ALMNATSHRCYP2D6
SCHEMBL954835 0.83 CES2 (0.47) PDE2ALMNACES2CES1CYP3A4
SCHEMBL1913425 0.83 CES2 (0.42) PDE2ALMNACES2CES1CYP3A4
SCHEMBL6630352 0.82 ALDH1A1 (0.42) PDE2ALMNACES2CES1CYP3A4
SCHEMBL31521269 0.80 PDE2A (0.44) PDE2ALMNACES2CES1TSHR

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-110325531-B Benzenesulfonamides and their use as therapeutic agents 泽农医药公司 2022-05-27 CN disclosed