SCHEMBL24671100

SCHEMBL24671100

CCc1ccc(C=O)c(CN(C)CC)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
TRPA1 O75762 1/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
ACHE P22303 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 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
SCHEMBL5085882 0.84 TRPA1 (0.40) USP2ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL7672096 0.75 MAPT (0.45) TSHRALDH1A1L3MBTL1LMNAMAPT
SCHEMBL8459678 0.74 TRPA1 (0.41) ALDH1A1L3MBTL1LMNAMAPTHPGD
SCHEMBL28425604 0.73 CDK1 (0.40) ALDH1A1LMNALPLLIPGACHE
SCHEMBL9569026 0.73 CNR1 (0.37) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL10497451 0.72 SRC (0.42) ALDH1A1L3MBTL1LMNAMAPTHPGD
SCHEMBL2704056 0.71 ALDH1A1 (0.45) USP2TSHRALDH1A1L3MBTL1LMNA
SCHEMBL5250728 0.70 TRPA1 (0.41) USP2ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL8722809 0.70 ALDH1A1 (0.40) TSHRNPSR1ALDH1A1L3MBTL1LMNA
SCHEMBL12910454 0.69 CHRNB2 (0.50) TSHRALDH1A1CHRNB2CHRNA4LPL

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-2022235715-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed