SCHEMBL30286347

SCHEMBL30286347

Cc1cc(Br)c(O)c(-c2cc(C)c(F)cc2F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
F2 P00734 2/20 0.35
F10 P00742 2/20 0.35
PLG P00747 2/20 0.35
PLAU P00749 2/20 0.35
PLAT P00750 2/20 0.35
PRSS1 P07477 2/20 0.35
SELL P14151 1/20 0.34
SELP P16109 1/20 0.34
SELE P16581 1/20 0.34
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31
ALDH3A1 P30838 1/20 0.31

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
SCHEMBL25403070 1.00 GABRA1 (0.39) GABRA1GABRB1GABRA2GABRB2CA1
SCHEMBL880200 0.81 GABRA1 (0.56) GABRA1GABRB1GABRA2GABRB2CA1
SCHEMBL24086757 0.78 GABRA1 (0.38) GABRA1GABRB1GABRA2GABRB2CA1
SCHEMBL24086818 0.76 MAPT (0.40) GABRA1GABRB1GABRA2GABRB2F2
SCHEMBL30286388 0.76 MAPT (0.40) GABRA1GABRB1GABRA2GABRB2F2
SCHEMBL24086817 0.73 F2 (0.39) GABRA1GABRB1GABRA2GABRB2CA1
SCHEMBL31062998 0.73 SELL (0.46) GABRA1GABRB1GABRA2GABRB2CA1
SCHEMBL13855793 0.73 SELL (0.46) GABRA1GABRB1GABRA2GABRB2CA1
SCHEMBL13044877 0.72 GABRA1 (0.41) GABRA1GABRB1GABRA2GABRB2CA1
SCHEMBL13044409 0.71 GABRA1 (0.38) GABRA1GABRB1GABRA2GABRB2CA1

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-115873041-A Organic electroluminescent material and device 环球展览公司 2023-03-31 CN disclosed