SCHEMBL29934730

SCHEMBL29934730

COc1ncc(Br)cc1CBr

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.37
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
RAB9A P51151 1/20 0.34
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
DYRK1B Q9Y463 2/20 0.33
ATM Q13315 1/20 0.33
HTT P42858 2/20 0.32
KMT2A Q03164 1/20 0.32
SLC13A5 Q86YT5 2/20 0.32
SLC13A2 Q13183 1/20 0.32
SLC13A3 Q8WWT9 1/20 0.32
HTR2A P28223 3/20 0.32
TAAR1 Q96RJ0 2/20 0.32
CASP1 P29466 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
SCHEMBL23363880 1.00 CNR2 (0.37) CNR2MAPTNPSR1NPC1ALDH1A1
SCHEMBL15053030 0.85 CNR2 (0.37) CNR2MAPTNPSR1NPC1ALDH1A1
SCHEMBL5783206 0.83 PDE4A (0.37) CNR2MAPTNPSR1NPC1ALDH1A1
SCHEMBL22047869 0.83 CNR2 (0.36) CNR2MAPTNPSR1NPC1ALDH1A1
SCHEMBL15052560 0.83 CNR2 (0.36) CNR2MAPTNPSR1NPC1ALDH1A1
SCHEMBL23383733 0.83 SMN1; SMN2 (0.37) CNR2MAPTALDH1A1RAB9AHTT
SCHEMBL5779592 0.83 CNR2 (0.36) CNR2MAPTNPSR1NPC1ALDH1A1
SCHEMBL21494328 0.81 GABRA1 (0.35) CNR2MAPTNPSR1NPC1ALDH1A1
SCHEMBL19330286 0.81 MAPT (0.35) MAPTALDH1A1SLC13A5SLC13A2SLC13A3
SCHEMBL16318902 0.80 CNR2 (0.39) CNR2MAPTNPSR1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112805267-B Carboxamide and sulfonamide derivatives as TEAD modulators 豪夫迈·罗氏有限公司 2024-03-08 CN disclosed
EP-4058435-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2022-09-21 EP disclosed