SCHEMBL166030

SCHEMBL166030

Cc1cccc(CON=CCc2ccc(Cl)c(CN(C)C(=O)O)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.34
KMT2A Q03164 5/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 3/20 0.33
ATM Q13315 2/20 0.33
MAPK1 P28482 2/20 0.33
MRGPRX4 Q96LA9 2/20 0.33
PDE10A Q9Y233 1/20 0.33
DPP4 P27487 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL9954743 0.86 PTGES (0.39) PTGESKMT2AMAPTMEN1MAPK1
SCHEMBL9957900 0.84 DPP4 (0.37) PTGESKMT2AMAPTMEN1MRGPRX4
SCHEMBL166893 0.83 KDM4E (0.41) KMT2AKDM4EMAPTMEN1ATM
SCHEMBL482900 0.83 TSHR (0.40) PTGESKMT2AMAPTMEN1MRGPRX4
SCHEMBL1138229 0.79 NPC1 (0.41) KMT2AMEN1MRGPRX4PDE10ADPP4
SCHEMBL337620 0.79 NPC1 (0.41) KMT2AMEN1MRGPRX4PDE10ADPP4
SCHEMBL166029 0.79 NPC1 (0.41) KMT2AMEN1MRGPRX4PDE10ADPP4
SCHEMBL16798762 0.79 MAPT (0.33) PTGESKMT2AKDM4EMAPTMEN1
SCHEMBL4443316 0.77 MEN1 (0.33) KMT2AKDM4EMAPTMEN1ATM
SCHEMBL1273638 0.76 PTGES (0.36) PTGESKMT2AMEN1DPP4ALDH1A1

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-2017112852-A1 MODIFIED POLYETHYLENEIMINES AND USES THEREOF Preceres Inc. (US) 2017-06-29 WO disclosed
WO-2017100744-A1 AMINOLIPIDOIDS AND USES THEREOF Preceres Inc. (US) 2017-06-15 WO disclosed
WO-2016036966-A1 HYDRAZINYL LIPIDOIDS AND USES THEREOF Preceres Inc. (US) 2016-03-10 WO disclosed