SCHEMBL22462355

SCHEMBL22462355

COc1ccc(/C=C2/CN(c3ccccc3)C/C(=C\c3ccc(OC)c(O)c3)C2=O)cc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
NPC1 O15118 2/20 0.70
RAB9A P51151 2/20 0.70
P4HB P07237 1/20 0.70
PAX8 Q06710 1/20 0.70
MAPT P10636 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
ATM Q13315 2/20 0.67
MDM4 O15151 1/20 0.67
JAK2 O60674 1/20 0.67
LMNA P02545 1/20 0.67
GAA P10253 1/20 0.67
XBP1 P17861 1/20 0.67
HTT P42858 1/20 0.67
MDM2 Q00987 1/20 0.67
MIF P14174 2/20 0.59
POLB P06746 2/20 0.58
ALDH1A1 P00352 1/20 0.56
ALPL P05186 1/20 0.56

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
SCHEMBL22822759 1.00 MEN1 (0.70) MEN1KMT2ANPC1RAB9AP4HB
SCHEMBL22462357 1.00 MEN1 (0.70) MEN1KMT2ANPC1RAB9AP4HB
SCHEMBL22550784 0.90 KMT2A (0.66) MEN1KMT2ANPC1RAB9AP4HB
SCHEMBL22529622 0.90 KMT2A (0.66) MEN1KMT2ANPC1RAB9AP4HB
SCHEMBL22529621 0.90 KMT2A (0.66) MEN1KMT2ANPC1RAB9AP4HB
SCHEMBL22462354 0.89 MAPT (0.63) MEN1KMT2ANPC1RAB9AP4HB
SCHEMBL22822875 0.89 MAPT (0.63) MEN1KMT2ANPC1RAB9AP4HB
SCHEMBL22462353 0.89 MAPT (0.63) MEN1KMT2ANPC1RAB9AP4HB
SCHEMBL22550767 0.83 MAPT (0.74) MEN1KMT2ANPC1RAB9AP4HB
SCHEMBL22822756 0.81 LY96 (0.67) MEN1KMT2ANPC1RAB9AP4HB

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
EP-3713916-A1 3,5-DIARYLIDENYL-N-SUBSTITUTED-PIPERID-4-ONE-DERIVED INHIBITORS OF STAT3 PATHWAY ACITIVTY AND USES THEROF Kiakos, Konstantinos (AT) 2020-09-30 EP disclosed