SCHEMBL30540591

SCHEMBL30540591

CC1(C)COc2ccc(C(N)=O)nc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 5/20 0.39
GRM2 Q14416 1/20 0.36
PIM1 P11309 1/20 0.35
TGFBR1 P36897 1/20 0.34
NNMT P40261 1/20 0.34
RARB P10826 3/20 0.34
RARG P13631 3/20 0.34
RARA P10276 2/20 0.34
TSHR P16473 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
NOTUM Q6P988 2/20 0.33
RXRA P19793 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
SCHEMBL30134106 0.87 RARB (0.36) RARBRARGRARAPTGS1PTGS2
SCHEMBL30133889 0.87 RARB (0.39) RARBRARGRARATSHRPTGS1
SCHEMBL30133991 0.83 RARB (0.43) RARBRARGRARA
SCHEMBL30899985 0.83 RARB (0.43) RARBRARGRARA
SCHEMBL30133894 0.79 CLK1 (0.33) RARBRARGRARA
SCHEMBL31149391 0.76 NOTUM (0.35) NOTUM
SCHEMBL25361140 0.72 RARA (0.46) RARBRARGRARATSHRRXRA
SCHEMBL30134235 0.71 NOTUM (0.32) NOTUM
SCHEMBL30540558 0.71 GRM2 (0.37) GRM2PTGS1PTGS2
SCHEMBL31149389 0.70 MAPT (0.35) NOTUM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4476219-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BeiGene, Ltd. (KY) 2024-12-18 EP disclosed
WO-2023151642-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 WO disclosed
WO-2023151636-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 WO disclosed