SCHEMBL28052880

SCHEMBL28052880

Cc1cnn(Cc2ccc(CCc3cncc(C(=O)O)c3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 17/20 0.52
KLK1 P06870 9/20 0.52
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HCAR2 Q8TDS4 1/20 0.43

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
SCHEMBL16486491 0.90 KLKB1 (0.63) KLKB1KLK1HSD17B10POLBTDP1
SCHEMBL16487112 0.85 HSD17B10 (0.53) KLKB1KLK1HSD17B10POLBTDP1
SCHEMBL19087149 0.83 HSD17B10 (0.70) KLKB1HSD17B10POLBTDP1L3MBTL1
SCHEMBL16246805 0.82 KLKB1 (0.62) KLKB1KLK1HSD17B10POLBTDP1
SCHEMBL29779641 0.80 KLKB1 (0.64) KLKB1KLK1
SCHEMBL19087151 0.78 POLB (0.71) KLKB1HSD17B10POLBTDP1L3MBTL1
SCHEMBL16487373 0.78 KLKB1 (0.62) KLKB1KLK1
SCHEMBL16487412 0.75 HTT (0.62) KLKB1KLK1HSD17B10L3MBTL1
SCHEMBL948453 0.74 HSD17B10 (0.61) KLKB1HSD17B10POLBTDP1L3MBTL1
SCHEMBL4403052 0.74 MEN1 (0.52) HSD17B10POLBHCAR2

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-105683179-A Inhibitors of plasma kallikrein 卡尔维斯塔制药有限公司 2016-06-15 CN disclosed