SCHEMBL166893

SCHEMBL166893

Cc1cccc(CON=CCc2ccc(Cl)c(CN(C)C(=O)O)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ATM Q13315 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HSP90AA1 P07900 1/20 0.39
CTBP2 P56545 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAOB P27338 2/20 0.36
SLC1A5 Q15758 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
ACHE P22303 1/20 0.35
IDO1 P14902 2/20 0.35
PDK1 Q15118 1/20 0.35
JAK2 O60674 1/20 0.35
HTT P42858 1/20 0.35
PAX8 Q06710 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
SCHEMBL12466762 0.85 PPARG (0.38) KDM4EMAPTMAPK1HSP90AA1CTBP2
SCHEMBL166030 0.83 PTGES (0.34) KDM4EATMMAPTMAPK1MEN1
SCHEMBL9958047 0.83 IDO1 (0.39) KDM4EHSP90AA1CTBP2MEN1KMT2A
SCHEMBL17845833 0.82 TSHR (0.42) HSP90AA1MEN1KMT2AMAOBIDO1
SCHEMBL18217 0.79 NPC1 (0.52) KDM4EATMMAPTMAPK1HSP90AA1
SCHEMBL18216 0.79 NPC1 (0.52) KDM4EATMMAPTMAPK1HSP90AA1
SCHEMBL2781697 0.77 IDO1 (0.42) KDM4EMAPTHSP90AA1MEN1KMT2A
SCHEMBL4443316 0.77 MEN1 (0.33) KDM4EATMMAPTMAPK1MEN1
SCHEMBL1274673 0.74 IDO1 (0.36) KDM4EHSP90AA1MEN1KMT2AALDH1A1
SCHEMBL9954743 0.69 PTGES (0.39) MAPTMAPK1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023244803-A1 METHODS AND COMPOSITIONS COMPRISING TOBACCO MILD GREEN MOSAIC VIRUS (TMGMV) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-12-21 WO disclosed
WO-2018125877-A1 SOLID FORMULATION OF VALIFENALATE, CYMOXANIL AND MANCOZEB FMC CORPORATION (US) 2018-07-05 WO disclosed
WO-2017112852-A1 MODIFIED POLYETHYLENEIMINES AND USES THEREOF Preceres Inc. (US) 2017-06-29 WO disclosed
WO-2016036966-A1 HYDRAZINYL LIPIDOIDS AND USES THEREOF Preceres Inc. (US) 2016-03-10 WO disclosed