SCHEMBL28328627

SCHEMBL28328627

COC(=O)c1ccccc1Oc1ccccc1I

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.54
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
TSHR P16473 3/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLC6A4 P31645 2/20 0.49
HTT P42858 2/20 0.49
CFTR P13569 1/20 0.49
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
PRSS1 P07477 1/20 0.47
ACR P10323 1/20 0.47

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
SCHEMBL2441955 0.89 SLC6A3 (0.65) SLC6A3KMT2AMEN1TSHRHSD17B10
SCHEMBL13813927 0.82 SLC6A3 (0.72) SLC6A3KMT2AMEN1TSHRHSD17B10
SCHEMBL30114910 0.82 HTT (0.71) SLC6A3KMT2AMEN1TSHRHSD17B10
SCHEMBL6674467 0.82 SLC6A3 (0.61) SLC6A3KMT2AMEN1TSHRHSD17B10
SCHEMBL3842861 0.82 ELANE (0.46) KMT2AMEN1TSHRHSD17B10MAPT
SCHEMBL63699 0.81 TSHR (0.61) SLC6A3KMT2AMEN1TSHRHSD17B10
SCHEMBL4386585 0.81 SLC6A3 (0.56) SLC6A3KMT2AMEN1TSHRHSD17B10
Ammonia Solution, Strong SCHEMBL28953721 0.80 TSHR (0.59) SLC6A3KMT2AMEN1TSHRHSD17B10
Benzene SCHEMBL28449714 0.80 TSHR (0.59) SLC6A3KMT2AMEN1TSHRHSD17B10
Fluoride SCHEMBL28310481 0.80 TSHR (0.59) SLC6A3KMT2AMEN1TSHRHSD17B10

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-107074800-B substituted bicyclic heteroaryl compounds as RXR agonists 康内克斯生命科学私人有限公司 2019-11-12 CN disclosed