SCHEMBL25859897

SCHEMBL25859897

C=CCc1c(Br)cccc1I

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 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
SCHEMBL7526525 0.79 GABRA1 (0.48) GABRA1GABRB2MEN1MAPTKMT2A
SCHEMBL4931545 0.78 GABRA1 (0.42) GABRA1GABRB2MEN1MAPTKMT2A
SCHEMBL27002556 0.77
SCHEMBL17097240 0.76 EED (0.37) GABRA1GABRB2MEN1MAPTKMT2A
SCHEMBL472453 0.76 GABRA1 (0.41) GABRA1GABRB2MEN1MAPTKMT2A
SCHEMBL9280552 0.76 IMPDH2 (0.40) GABRA1GABRB2MEN1MAPTKMT2A
SCHEMBL7731174 0.76 MAPT (0.35) GABRA1GABRB2MEN1MAPTKMT2A
SCHEMBL28694888 0.76 GABRA1 (0.33) GABRA1GABRB2MEN1MAPTKMT2A
SCHEMBL25859920 0.76 ALDH1A1 (0.39) GABRA1GABRB2MEN1MAPTKMT2A
SCHEMBL28694886 0.74 LMNA (0.35) GABRA1GABRB2MEN1MAPTKMT2A

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
WO-2023125498-A1 ORGANIC COMPOUND, MIXTURE AND COMPOSITION COMPRISING SAME, ORGANIC ELECTRONIC DEVICE, AND APPLICATIONS OF COMPOUND 浙江光昊光电科技有限公司 2023-07-06 WO disclosed