SCHEMBL21620382

SCHEMBL21620382

O=C(I)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.80
MEN1 O00255 10/20 0.60
KMT2A Q03164 10/20 0.60
ALDH1A1 P00352 9/20 0.60
USP2 O75604 7/20 0.60
MAPT P10636 7/20 0.60
GAA P10253 6/20 0.60
LMNA P02545 6/20 0.60
KDM4E B2RXH2 5/20 0.60
TDP1 Q9NUW8 4/20 0.60
RECQL P46063 3/20 0.60
TLR9 Q9NR96 1/20 0.60
CASP1 P29466 5/20 0.53
CASP7 P55210 5/20 0.53
ALOX15 P16050 4/20 0.53
HSD17B10 Q99714 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
BRCA1 P38398 2/20 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 0.90 SLC16A3 (0.83) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL29364862 0.89 SLC16A3 (1.00) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL45609 0.89 SLC16A3 (1.00) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL29413851 0.88 SLC16A3 (0.80) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL2843124 0.88 SLC16A3 (0.80) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL10082362 0.88 SLC16A3 (0.80) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL15294904 0.85 SLC16A3 (0.80) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL13403675 0.84 SLC16A3 (0.74) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL12761821 0.84 SLC16A3 (0.74) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL26307770 0.84 SLC16A3 (0.74) SLC16A3MEN1KMT2AALDH1A1USP2

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-2020010495-A1 METHOD FOR NUCLEIC ACID SEQUENCING 深圳华大智造极创科技有限公司 2020-01-16 WO disclosed