SCHEMBL28039416

SCHEMBL28039416

[CH2]c1ccc2cc(N(C)C=O)ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
TERT O14746 1/20 0.35
APP P05067 1/20 0.35
EGFR P00533 1/20 0.33
SLC2A1 P11166 1/20 0.31
CYP1A2 P05177 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL17709258 0.80 APP (0.55) PSMB5ALDH1A1KDM4ETERTAPP
SCHEMBL17430176 0.80 ALDH1A1 (0.37) PSMB5ALDH1A1KDM4EGAATERT
SCHEMBL28039340 0.77 CYP2A6 (0.31) TERTAPPNPSR1
SCHEMBL28039088 0.76 EGFR (0.40) PSMB5ALDH1A1KDM4EGAAEGFR
SCHEMBL17480050 0.73 DOT1L (0.54) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL15351981 0.73 HTT (0.46) ALDH1A1KDM4ECYP1A2MEN1KMT2A
SCHEMBL28141366 0.72 PSMB5 (0.33) PSMB5ALDH1A1KDM4EGAATERT
SCHEMBL28039379 0.72 CYP2A6 (0.36) ALDH1A1
SCHEMBL28039052 0.70 KDM4E (0.36) ALDH1A1KDM4E
SCHEMBL28843600 0.70 EGFR (0.36) PSMB5ALDH1A1KDM4EGAAEGFR

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
CN-104955332-A Method for controlling arthropod pest SUMITOMO CHEMICAL CO 2015-09-30 CN disclosed