SCHEMBL4592268

SCHEMBL4592268

O=C(O)C1(COc2ccccc2)Cc2ccccc2N1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
BRD4 O60885 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CXCR5 P32302 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL29192390 0.80 BRD4 (0.38) BRD4GAAKMT2AMEN1NPC1
SCHEMBL16669626 0.74 BRD4 (0.48) BRD4GAAKMT2AMEN1SMN1; SMN2
SCHEMBL13886265 0.69 BRD4 (0.39) BRD4GAASMN1; SMN2NPC1MAPT
SCHEMBL5837737 0.67 BRD4 (0.42) BRD4GAAKMT2AMEN1NPC1
SCHEMBL9752039 0.67 MAPT (0.39) BRD4GAAKMT2AMEN1NPC1
SCHEMBL38660901 0.67 MAPT (0.39) BRD4GAAKMT2AMEN1NPC1
SCHEMBL6773172 0.67 BRD4 (0.42) BRD4GAAKMT2AMEN1NPC1
SCHEMBL13869013 0.67 BRD4 (0.38) BRD4GAASMN1; SMN2NPC1MAPT
SCHEMBL29192329 0.67 BRD4 (0.40) BRD4GAAKMT2AMEN1MAPT
SCHEMBL10907418 0.67 BRD4 (0.55) BRD4GAASMN1; SMN2MAPTHPGD

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-1807398-B1 NEW INDOLE OR BENZIMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-25 EP disclosed