SCHEMBL29580358

SCHEMBL29580358

O=C1CC(Br)(Br)c2cc(Br)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.43
S100A4 P26447 1/20 0.42
METAP1 P53582 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
PGR P06401 3/20 0.38
CMA1 P23946 1/20 0.38
AHR P35869 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
PTPRC P08575 1/20 0.37
AKR1A1 P14550 1/20 0.36
AKR1B1 P15121 1/20 0.36
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36
PARP10 Q53GL7 2/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL30643108 0.79 TDP2 (0.42) TDP2S100A4METAP1CA1CA2
SCHEMBL30016378 0.79 TDP2 (0.42) TDP2S100A4METAP1CA1CA2
SCHEMBL3361527 0.79 PGR (0.55) TDP2S100A4METAP1CA1CA2
SCHEMBL12077300 0.79 TDP2 (0.42) TDP2S100A4METAP1CA1CA2
SCHEMBL17808125 0.77 TDP2 (0.40) TDP2S100A4METAP1CA1CA2
SCHEMBL18805604 0.77 TDP2 (0.40) TDP2S100A4METAP1CA1CA2
SCHEMBL21505602 0.75 TDP2 (0.42) TDP2S100A4METAP1CA1CA2
Hydrochloric Acid SCHEMBL18786961 0.75 TDP2 (0.39) TDP2S100A4METAP1CA1CA2
SCHEMBL30643150 0.70 TDP2 (0.41) TDP2S100A4METAP1CA1CA2
SCHEMBL18786776 0.70 TP53 (0.36) TDP2METAP1CA1CA2CA4

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-110590642-B Electroluminescent material with indenone as electron acceptor and its application 大连理工大学 2022-06-07 CN claimed