SCHEMBL24458097

SCHEMBL24458097

Cc1cc(Cl)cc(C(C)O)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
SCN4A P35499 4/20 0.38
LMNA P02545 2/20 0.35
PDE2A O00408 1/20 0.35
ATM Q13315 1/20 0.33
HTR2B P41595 2/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
KCNH2 Q12809 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL24458102 0.83 GABRA1 (0.45) GABRA1GABRB1SCN4ALMNAPDE2A
SCHEMBL12407088 0.82 GABRA1 (0.54) GABRA1GABRB1SCN4ALMNAHTR2B
SCHEMBL19832541 0.76 GABRA1 (0.35) GABRA1GABRB1SCN4APDE2A
SCHEMBL19126691 0.75 GABRA1 (0.39) GABRA1GABRB1SCN4ALMNAPDE2A
SCHEMBL11340181 0.75 GABRA1 (0.70) GABRA1GABRB1LMNAPDE2AHTR2B
SCHEMBL24458096 0.74 PDE2A (0.32) PDE2AMEN1KMT2AKCNH2
SCHEMBL8975178 0.72 TSHR (0.47) SCN4AHTR2BTSHRALDH1A1RAPGEF4
SCHEMBL15541919 0.70 GABRA1 (0.75) GABRA1GABRB1LMNAHTR2BTSHR
SCHEMBL2974180 0.70 GABRA1 (0.56) GABRA1GABRB1LMNAPDE2AHTR2B
SCHEMBL19505672 0.69 GABRA1 (0.61) GABRA1GABRB1SCN4ALMNAHTR2B

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
WO-2022109001-A1 GCN2 AND PERK KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2022-05-27 WO disclosed