SCHEMBL30267692

SCHEMBL30267692

COc1cc(I)c(N)cc1Br

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTR2A P28223 5/20 0.44
TAAR1 Q96RJ0 3/20 0.44
HTR2C P28335 2/20 0.44
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
HTR2B P41595 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
SCHEMBL20509438 1.00 POLB (0.59) POLBL3MBTL1MAPTNPSR1HTR2A
SCHEMBL10002646 0.94 POLB (0.52) POLBL3MBTL1MAPTNPSR1HTR2A
SCHEMBL29751190 0.94 POLB (0.52) POLBL3MBTL1MAPTNPSR1HTR2A
SCHEMBL29447103 0.84 POLB (0.67) POLBL3MBTL1MAPTNPSR1HTR2A
SCHEMBL192738 0.84 POLB (0.67) POLBL3MBTL1MAPTNPSR1HTR2A
SCHEMBL1850735 0.84 POLB (0.48) POLBL3MBTL1MAPTNPSR1HTR2A
Hydrochloric Acid SCHEMBL1401340 0.82 POLB (0.64) POLBL3MBTL1MAPTNPSR1HTR2A
SCHEMBL4896660 0.82 POLB (0.78) POLBL3MBTL1MAPTNPSR1HTR2A
SCHEMBL680329 0.80 POLB (0.61) POLBL3MBTL1MAPTNPSR1HTR2A
SCHEMBL27560259 0.79 MAPT (0.50) POLBL3MBTL1MAPTNPSR1HTR2A

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
EP-4125883-A1 COMBINATION THERAPY Antabio SAS (FR) 2023-02-08 EP disclosed