SCHEMBL29159239

SCHEMBL29159239

COc1c(F)c(F)c(I)c(Br)c1F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.32
CA4 P22748 3/20 0.32
CA1 P00915 1/20 0.32
CA6 P23280 1/20 0.32
PTPN1 P18031 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL25205732 0.80 CA2 (0.37) CA2CA4CA1CA6PTPN1
SCHEMBL21461783 0.80 CA2 (0.37) CA2CA4CA1CA6PTPN1
SCHEMBL2922201 0.78 CA2 (0.39) CA2CA4CA1CA6PTPN1
SCHEMBL21090631 0.75 HSD17B10 (0.31) HSD17B10
SCHEMBL6737749 0.75 CA2 (0.37) CA2CA4CA1CA6PTPN1
SCHEMBL3763099 0.74 HSD17B10 (0.41) CA2CA1HSD17B10
SCHEMBL6078098 0.73 HSD17B10 (0.31) HSD17B10
SCHEMBL7597873 0.72
SCHEMBL25365260 0.71 PTPN1 (0.43) CA2CA4CA1CA6PTPN1
SCHEMBL182607 0.71 HSD17B10 (0.40) CA2CA1HSD17B10

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-117285454-A Synthesis method of indole derivative and benzodipyrrole derivative 南京邮电大学 2023-12-26 CN disclosed