SCHEMBL8601530

SCHEMBL8601530

C=CCc1[nH]c2ccccc2c1C1=C(O)C(=O)C=C(O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 4/20 0.36
XIAP P98170 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 2/20 0.33
G6PD P11413 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
PADI4 Q9UM07 1/20 0.33

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
SCHEMBL6258044 0.87 MEN1 (0.44) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL6095875 0.84 XIAP (0.41) MEN1KMT2AMAPTXIAPRAB9A
SCHEMBL6093878 0.77 PTPRC (0.54) MEN1KMT2AMAPTKDM4ETDP1
SCHEMBL6110147 0.77 CCR6 (0.51) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL6257893 0.75 MEN1 (0.39) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL6094612 0.74 KDM4E (0.40) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL6096689 0.74 HPGD (0.40) MEN1KMT2AMAPTXIAPRAB9A
SCHEMBL6094828 0.73 NPC1 (0.38) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL6256453 0.73 MAPT (0.48) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL7749783 0.73 MEN1 (0.42) MEN1KMT2AMAPTRAB9ANPC1

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
US-5780496-A Method and compositions for inhibition of adaptor protein/tyrosine kinase interactions SUGEN, INC. (US) 1998-07-14 US claimed