SCHEMBL9220619

SCHEMBL9220619

Nc1cc(C(=O)O)cc2c(N)cccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 5/20 0.54
CDC25A P30304 1/20 0.54
CDC25C P30307 1/20 0.54
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 3/20 0.50
HPGD P15428 2/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TTR P02766 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.43
TDP2 O95551 1/20 0.43
POLB P06746 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
BLM P54132 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
SCHEMBL11514979 0.85 CDC25B (0.48) CDC25BCDC25ACDC25CALDH1A1HSD17B10
SCHEMBL8003001 0.78 CDC25B (0.48) CDC25BCDC25ACDC25CALDH1A1HSD17B10
SCHEMBL343609 0.77 ALDH1A1 (0.52) CDC25BALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL689325 0.76 PLAU (0.66) CDC25BCDC25ACDC25CALDH1A1HSD17B10
SCHEMBL30791056 0.76 PLAU (0.66) CDC25BCDC25ACDC25CALDH1A1HSD17B10
SCHEMBL8000087 0.75 ALDH1A1 (0.57) CDC25BCDC25ACDC25CALDH1A1HSD17B10
Isophthalic Acid SCHEMBL27522273 0.74 HSD17B10 (0.61) CDC25BCDC25ACDC25CALDH1A1HSD17B10
SCHEMBL29549315 0.74 CDC25B (0.64) CDC25BCDC25ACDC25CALDH1A1HSD17B10
SCHEMBL689824 0.74 CDC25B (0.64) CDC25BCDC25ACDC25CALDH1A1HSD17B10
SCHEMBL28721557 0.73 GRIN2D (0.49) CDC25BALDH1A1HSD17B10HPGDTSHR

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-1995000592-A1 DISAZO DYES ZENECA LIMITED (GB) 1995-01-05 WO disclosed