SCHEMBL28109948

SCHEMBL28109948

O=c1oc2c3c4c(cc2cc1O)CCCN4CCC3

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.73
▸ KMT2A Q03164 11/20 0.67
▸ MEN1 O00255 10/20 0.67
▸ ALDH1A1 P00352 10/20 0.67
▸ USP2 O75604 8/20 0.67
▸ GAA P10253 8/20 0.67
▸ MAPT P10636 8/20 0.67
▸ KDM4E B2RXH2 7/20 0.67
▸ LMNA P02545 6/20 0.67
▸ TDP1 Q9NUW8 4/20 0.67
▸ RECQL P46063 4/20 0.67
▸ TLR9 Q9NR96 1/20 0.67
▸ CASP1 P29466 7/20 0.54
▸ CASP7 P55210 7/20 0.54
▸ BRCA1 P38398 2/20 0.54
▸ HBB P68871 2/20 0.54
▸ TP53 P04637 2/20 0.54
▸ HSD17B10 Q99714 6/20 0.53
▸ HPGD P15428 6/20 0.53
▸ ALOX15 P16050 4/20 0.53

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
SCHEMBL12511762 0.85 SLC16A3 (0.83) SLC16A3KMT2AMEN1ALDH1A1USP2
SCHEMBL13050804 0.85 SLC16A3 (0.70) SLC16A3KMT2AMEN1ALDH1A1USP2
SCHEMBL45609 0.84 SLC16A3 (1.00) SLC16A3KMT2AMEN1ALDH1A1USP2
SCHEMBL29364862 0.84 SLC16A3 (1.00) SLC16A3KMT2AMEN1ALDH1A1USP2
SCHEMBL13486876 0.84 SLC16A3 (0.69) SLC16A3KMT2AMEN1ALDH1A1USP2
SCHEMBL10082362 0.83 SLC16A3 (0.80) SLC16A3KMT2AMEN1ALDH1A1USP2
SCHEMBL15294904 0.83 SLC16A3 (0.80) SLC16A3KMT2AMEN1ALDH1A1USP2
SCHEMBL29413851 0.83 SLC16A3 (0.80) SLC16A3KMT2AMEN1ALDH1A1USP2
SCHEMBL2843124 0.83 SLC16A3 (0.80) SLC16A3KMT2AMEN1ALDH1A1USP2
SCHEMBL21620382 0.83 SLC16A3 (0.80) SLC16A3KMT2AMEN1ALDH1A1USP2

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-106046012-A Novel coumarin bio-thiol fluorescent probe and preparation method thereof 齐鲁工业大学 2016-10-26 — — CN disclosed
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