SCHEMBL8933613

SCHEMBL8933613

COc1ccccc1C(Br)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA12 O43570 2/20 0.44
CA14 Q9ULX7 2/20 0.44
KMT2A Q03164 1/20 0.44
CA4 P22748 1/20 0.44
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
LPAR1 Q92633 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL7468522 0.85 KMT2A (0.53) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL639945 0.83 POLB (0.46) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL7475532 0.83 CA1 (0.48) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL6788195 0.79 POLB (0.48) POLBHTTNPSR1L3MBTL1KMT2A
SCHEMBL13656103 0.78 POLB (0.49) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL13170107 0.78 POLB (0.49) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL15695551 0.78 PTGS1 (0.51) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL23182201 0.77 POLB (0.47) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL9278678 0.76 ESR1 (0.43) NPSR1CA1CA2CA7CA9
SCHEMBL3812849 0.75 CA1 (0.52) POLBHTTNPSR1L3MBTL1CA1

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-1996023790-A1 ACETYLIMIDAZOBENZODIAZEPINES F. HOFFMANN-LA ROCHE AG (CH) 1996-08-08 WO disclosed