SCHEMBL30169490

SCHEMBL30169490

COc1ccc(I)c(CCBr)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
IDO1 P14902 2/20 0.40
AOC3 Q16853 1/20 0.39
GSK3B P49841 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR2A P28223 1/20 0.38
APLNR P35414 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 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
SCHEMBL3651637 1.00 ADRA1A (0.43) ADRA1ATAAR1IDO1AOC3GSK3B
SCHEMBL7315568 0.83 ADRA1A (0.44) ADRA1ATAAR1IDO1AOC3HSD17B10
SCHEMBL17344189 0.79 ADRA1A (0.44) ADRA1ATAAR1IDO1AOC3GSK3B
SCHEMBL25308876 0.79 ADRA1A (0.68) ADRA1ATAAR1IDO1AOC3HSD17B10
SCHEMBL17330013 0.79 HTR1A (0.45) ADRA1ATAAR1IDO1AOC3HTR2A
SCHEMBL10411871 0.79 HTR2A (0.55) AOC3HTR2A
SCHEMBL8230324 0.79 HTR2A (0.54) ADRA1ATAAR1HTR2A
SCHEMBL27955325 0.78 SLC6A4 (0.44) ADRA1ATAAR1IDO1AOC3HTR2A
Hydrochloric Acid SCHEMBL10412386 0.77 HTR2A (0.54) AOC3HTR2A
SCHEMBL8824014 0.77 KDM4E (0.46) ADRA1ATAAR1IDO1HSD17B10HTR2A

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-115551593-A Compounds and methods for modulating splicing 雷密克斯医疗公司 2022-12-30 CN disclosed