SCHEMBL24669798

SCHEMBL24669798

CCC(C)C(=O)Nc1cnn(C(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.49
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
NAMPT P43490 1/20 0.44
ACHE P22303 2/20 0.42
GLS O94925 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL24669800 0.84 RAB9A (0.51) FPR2KMT2ANPC1RAB9ALMNA
SCHEMBL24671090 0.81 KMT2A (0.56) FPR2KMT2ANPC1RAB9ALMNA
SCHEMBL4293848 0.79 NPC1 (0.52) FPR2KMT2ANPC1RAB9AHSD17B10
SCHEMBL29757930 0.78 NPC1 (0.51) FPR2KMT2ANPC1RAB9ALMNA
SCHEMBL4287692 0.75 KMT2A (0.60) KMT2ANPC1RAB9ALMNAMAPT
SCHEMBL22773928 0.75 KMT2A (0.53) FPR2KMT2ANPC1RAB9ALMNA
SCHEMBL1949535 0.73 HSD17B10 (0.69) KMT2ARAB9AHSD17B10LMNAALDH1A1
SCHEMBL13373362 0.72 HSD17B10 (0.51) KMT2ANPC1RAB9AHSD17B10LMNA
SCHEMBL13373479 0.72 HSD17B10 (0.51) KMT2ANPC1RAB9AHSD17B10LMNA
SCHEMBL4285419 0.72 NPC1 (0.69) KMT2ANPC1RAB9ALMNAMAPT

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