SCHEMBL4254102

SCHEMBL4254102

CCc1c(Br)c(Br)c2cccc3c2c1O3

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4252728 0.77 AHR (0.37) MEN1POLBKMT2A
SCHEMBL4252069 0.76
SCHEMBL6255703 0.70 AHR (0.36) GABRA1GABRB2
SCHEMBL4252749 0.68 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL19067196 0.63 CYP1A2 (0.36) GABRA1GABRB2POLB
SCHEMBL4252721 0.63 AHR (0.50)
SCHEMBL5589007 0.62 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL15303048 0.62 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL20990560 0.61 AHR (0.46) POLB
SCHEMBL4645711 0.61 GABRA1 (0.42) GABRA1GABRB2MEN1POLBKMT2A

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
US-20090053616-A1 HOLOGRAPHIC RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA 2009-02-26 US disclosed