SCHEMBL29136105

SCHEMBL29136105

O=C(O)N1CCCC(Nc2cccc(Br)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
TP53 P04637 1/20 0.49
GFER P55789 3/20 0.48
GAA P10253 1/20 0.47
HCRTR1 O43613 1/20 0.45
GRK2 P25098 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL27177207 1.00 KMT2A (0.50) KMT2ATP53GFERGAAHCRTR1
SCHEMBL29136098 0.86 KMT2A (0.51) KMT2AGFERGAAHCRTR1
SCHEMBL27177233 0.86 KMT2A (0.51) KMT2AGFERGAAHCRTR1
SCHEMBL28188379 0.85 GFER (0.51) KMT2AGFERGAA
SCHEMBL4755107 0.85 KMT2A (0.52) KMT2AGFERGAA
SCHEMBL30775698 0.84 LMNA (0.47) KMT2ATP53GRK2CASP6CASP8
SCHEMBL30941590 0.83 USP30 (0.56) KMT2AGFERL3MBTL1
SCHEMBL29136112 0.83 USP30 (0.56) KMT2AGFERL3MBTL1
SCHEMBL30027279 0.81 KMT2A (0.60) KMT2AL3MBTL1
SCHEMBL27177262 0.81 KMT2A (0.49) KMT2AGFERGAAHCRTR1

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
CN-117321042-A Oxodihydro indole compounds for the treatment of inflammatory diseases or cancers 豪夫迈·罗氏有限公司 2023-12-29 CN disclosed