SCHEMBL28898728

SCHEMBL28898728

COc1cccc(OC)c1-c1cc(C(C)C)c(-c2ccccc2I)c(C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
DUSP3 P51452 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
TOP1 P11387 1/20 0.36
PTPRC P08575 1/20 0.36
PTPN1 P18031 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL28898721 0.93 PTPRC (0.43) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL28898725 0.81 ABL1 (0.45) MEN1KMT2AMAPTUSP2TDP1
SCHEMBL28898717 0.79 CREBBP (0.37) HTR7CA1CA2CA9PPARG
SCHEMBL28993532 0.78 PTPRC (0.43) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL1768310 0.78 TOP1 (0.47) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL30865667 0.78 HTR7 (0.46) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL28898736 0.77 MAPT (0.42) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL28898718 0.75 NPC1 (0.40) ALDH1A1MAPTRAB9ASMN1; SMN2PPARG
SCHEMBL28960030 0.75 HDAC4 (0.41) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL366603 0.75 GABRA1 (0.37) CA1CA2CA9PDK2

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-115385957-A Linear terphenyl aryl phosphine ligand and transition metal complex thereof 东莞市均成高新材料有限公司 2022-11-25 CN disclosed