SCHEMBL5813652

SCHEMBL5813652

O=C(O)c1ccc(C=C(CCOc2cccc3ccccc23)CNc2ccc3ccccc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
DAPK1 P53355 1/20 0.45
PIM3 Q86V86 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
BLM P54132 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.42
P2RX3 P56373 1/20 0.41
HPGD P15428 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
PIN1 Q13526 1/20 0.40
MCL1 Q07820 3/20 0.39
PTPN1 P18031 1/20 0.39
DHODH Q02127 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL5810275 0.91 ALDH1A1 (0.43) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL5810269 0.91 ALDH1A1 (0.43) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL5822007 0.90 PIN1 (0.44) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL5797682 0.89 GCGR (0.46) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL5812472 0.85 NPC1 (0.40) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL5808415 0.85 MAPT (0.43) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL5797822 0.84 MEN1 (0.46) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL5824029 0.83 ALDH1A1 (0.45) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL5795610 0.83 P2RX3 (0.51) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL5795607 0.83 P2RX3 (0.51) MEN1KMT2AKDM4EALDH1A1MAPT

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
WO-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed