SCHEMBL7848859

SCHEMBL7848859

CCOC(=O)c1cccc2c(Br)cccc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
CDC25B P30305 5/20 0.55
ALDH1A1 P00352 2/20 0.51
HSD17B10 Q99714 2/20 0.51
CLEC4M Q9H2X3 1/20 0.51
CDC25A P30304 1/20 0.51
CDC25C P30307 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PRNP P04156 1/20 0.49
KDM4E B2RXH2 2/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
AHR P35869 1/20 0.47
CYP1A2 P05177 1/20 0.46

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
SCHEMBL11749538 0.90 TSHR (0.59) TSHRCDC25BALDH1A1HSD17B10CDC25A
SCHEMBL9150759 0.89 TSHR (0.73) TSHRCDC25BALDH1A1HSD17B10CLEC4M
SCHEMBL7848703 0.83 TSHR (0.63) TSHRCDC25BALDH1A1HSD17B10CLEC4M
SCHEMBL22531831 0.83 TSHR (0.63) TSHRCDC25BALDH1A1HSD17B10CLEC4M
SCHEMBL265052 0.83 TSHR (0.63) TSHRCDC25BALDH1A1HSD17B10CLEC4M
SCHEMBL145642 0.83 ALDH1A1 (0.63) TSHRCDC25BALDH1A1MEN1KMT2A
SCHEMBL408906 0.82 TSHR (0.74) TSHRCDC25BALDH1A1HSD17B10KMT2A
SCHEMBL2569253 0.82 TSHR (0.73) TSHRCDC25BALDH1A1HSD17B10CLEC4M
SCHEMBL29671336 0.82 TSHR (0.73) TSHRCDC25BALDH1A1HSD17B10CLEC4M
SCHEMBL7847735 0.82 TSHR (0.58) TSHRCDC25BALDH1A1HSD17B10CLEC4M

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1335850-A Quinoline derivatives SMITHKLINE BEECHMA PLC (GB) 2002-02-13 CN disclosed
EP-1140946-A2 QUINOLINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2001-10-10 EP disclosed
WO-2000035919-A2 QUINOLINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2000-06-22 WO disclosed