SCHEMBL23398953

SCHEMBL23398953

CCn1[nH]c(-c2ccccc2)c(-c2ccccc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 6/20 0.46
KDM4E B2RXH2 5/20 0.43
RCE1 Q9Y256 1/20 0.43
GAA P10253 2/20 0.42
ALOX15 P16050 1/20 0.42
ALKBH3 Q96Q83 2/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PSD A5PKW4 1/20 0.39
CYBB P04839 1/20 0.39
NOX4 Q9NPH5 1/20 0.39
NOX1 Q9Y5S8 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 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
SCHEMBL23401938 0.92 ALKBH3 (0.45) MAT2AKDM4ERCE1GAAALOX15
SCHEMBL23402118 0.92 ALKBH3 (0.45) MAT2AKDM4ERCE1GAAALOX15
SCHEMBL23401629 0.87 KDM4E (0.44) MAT2AKDM4EGAAALOX15ALKBH3
SCHEMBL23402170 0.87 ALKBH3 (0.44) MAT2AGAAALOX15ALKBH3ALDH1A1
SCHEMBL23399726 0.85 BRD4 (0.38) MAT2AKDM4EALKBH3ALDH1A1HPGD
SCHEMBL23403611 0.85 GAA (0.40) MAT2AKDM4ERCE1GAAALOX15
SCHEMBL23401690 0.84 MEN1 (0.55) MAT2AKDM4EGAAALOX15ALDH1A1
SCHEMBL23399658 0.83 KDM4E (0.44) MAT2AKDM4ERCE1GAAALOX15
SCHEMBL23401671 0.83 GAA (0.58) MAT2AKDM4ERCE1GAAALOX15
SCHEMBL23400258 0.82 SMN1; SMN2 (0.47) MAT2AGAAALOX15ALKBH3ALDH1A1

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed