SCHEMBL23601593

SCHEMBL23601593

Cc1cccc(-c2ccc(N3CC(C)(C)CC3=O)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.50
GRM5 P41594 6/20 0.39
FYN P06241 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
APP P05067 1/20 0.38
BACE1 P56817 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37

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
SCHEMBL24721017 0.83 RXRA (0.45) GRM5MEN1KMT2A
SCHEMBL24721725 0.80 SMN1; SMN2 (0.46) GRM5
SCHEMBL23601592 0.77 L3MBTL1 (0.46) PGRGRM5FYNCLK4DYRK1B
SCHEMBL23561017 0.75 GRM5 (0.54) GRM5MEN1KMT2A
SCHEMBL23601598 0.74 ALDH1A1 (0.49) L3MBTL1MEN1KMT2A
SCHEMBL23602041 0.73 F10 (0.52) L3MBTL1MEN1KMT2A
SCHEMBL13284168 0.73 L3MBTL1 (0.67) PGRFYNCLK4DYRK1BL3MBTL1
SCHEMBL23576667 0.72 RAB9A (0.44) GRM5L3MBTL1
SCHEMBL22553962 0.72 RAB9A (0.44) GRM5
SCHEMBL22554331 0.72 GRM5 (0.40) PGRGRM5BACE1

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-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed