SCHEMBL10280646

SCHEMBL10280646

O=C1CC(c2ccc(Cl)cc2)c2ccc3ccccc3c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
CYP19A1 P11511 1/20 0.41
TP53 P04637 3/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
IDO1 P14902 1/20 0.38
AR P10275 1/20 0.38
CYP1A1 P04798 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP1B1 Q16678 2/20 0.37

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
SCHEMBL880317 0.86 LMNA (0.43) EEF2KALDH1A1KMT2AKDM4ENPSR1
SCHEMBL12162752 0.86 CYP19A1 (0.49) EEF2KALDH1A1KMT2AKDM4EMEN1
SCHEMBL14047508 0.86 EEF2K (0.44) EEF2KALDH1A1KMT2AKDM4ELMNA
SCHEMBL880279 0.81 TP53 (0.46) EEF2KALDH1A1KMT2AKDM4ELMNA
SCHEMBL880430 0.77 LMNA (0.67) ALDH1A1KMT2ALMNASMN1; SMN2MAPK1
SCHEMBL12162742 0.75 IDO1 (0.42) EEF2KALDH1A1KMT2AKDM4EMEN1
SCHEMBL12278879 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDLMNAMAPK1
SCHEMBL6001645 0.72 RAB9A (0.49) EEF2KALDH1A1KDM4ENPSR1LMNA
SCHEMBL880443 0.69 TP53 (0.76) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL7154204 0.69 WDR5 (0.45) ALDH1A1KDM4ELMNAMAPK1CYP19A1

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-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed