SCHEMBL28650262

SCHEMBL28650262

Cc1cc(CO)cc(C)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
UPP1 Q16831 1/20 0.41
MAPT P10636 5/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
HAVCR2 Q8TDQ0 1/20 0.39
USP2 O75604 1/20 0.38
THRB P10828 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
RECQL P46063 2/20 0.37
ACHE P22303 1/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL25956413 0.83 KMT2A (0.41) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL3004075 0.81 MEN1 (0.44) KDM4EMEN1KMT2AUPP1MAPT
SCHEMBL15599249 0.79 KDM4E (0.46) KDM4EMEN1KMT2AUPP1MAPT
SCHEMBL28248982 0.77 KDM4E (0.40) KDM4EMEN1KMT2AUPP1MAPT
SCHEMBL5524083 0.77 KDM4E (0.40) KDM4EMEN1KMT2AUPP1MAPT
SCHEMBL25786462 0.77 KDM4E (0.40) KDM4EMEN1KMT2AUPP1MAPT
SCHEMBL27878369 0.76 KDM4E (0.44) KDM4EMEN1KMT2AUPP1MAPT
SCHEMBL4549700 0.75 MEN1 (0.41) KDM4EMEN1KMT2AUPP1MAPT
SCHEMBL28865511 0.74 KDM4E (0.40) KDM4EMEN1KMT2AUPP1MAPT
SCHEMBL25695809 0.74 KDM4E (0.42) KDM4EMEN1KMT2AUPP1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022178691-A1 METHOD FOR PREPARING 2-IODO-ARYL ETHER ON BASIS OF O-HALOGEN IODOBENZENE IN ABSENCE OF CATALYST 苏州大学 2022-09-01 WO claimed
CN-112979497-A Method for preparing 2-iodoaryl ether based on o-haloiodobenzene without catalyst 苏州大学 2021-06-18 CN claimed
CN-112979497-A Method for preparing 2-iodoaryl ether based on o-haloiodobenzene without catalyst 苏州大学 2021-06-18 CN disclosed