SCHEMBL11065825

SCHEMBL11065825

N#C[CH]c1cccc(Nc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
ALDH1A1 P00352 7/20 0.54
AR P10275 1/20 0.54
KDM4E B2RXH2 5/20 0.46
GAA P10253 5/20 0.46
TDP1 Q9NUW8 4/20 0.46
LMNA P02545 4/20 0.46
CYP3A4 P08684 3/20 0.46
TSHR P16473 2/20 0.46
GFER P55789 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 4/20 0.44
ALOX12 P18054 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 3/20 0.43
ALOX15 P16050 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL11232522 0.86 MAPT (0.38) MAPTMEN1KMT2AALDH1A1AR
SCHEMBL11134558 0.75 MEN1 (0.40) MAPTMEN1KMT2AALDH1A1AR
SCHEMBL224946 0.75
SCHEMBL338711 0.75 TRIM24 (0.41) ALDH1A1KDM4EPTGS2HTT
SCHEMBL29712437 0.75 ALDH1A1 (0.60) MAPTMEN1KMT2AALDH1A1AR
SCHEMBL416655 0.75 ALDH1A1 (0.60) MAPTMEN1KMT2AALDH1A1AR
SCHEMBL678299 0.72 ALDH1A1 (1.00) MAPTMEN1KMT2AALDH1A1AR
SCHEMBL23975313 0.72 ALDH1A1 (0.56) MAPTMEN1KMT2AALDH1A1AR
SCHEMBL6156438 0.71 ALDH1A1 (0.61) MAPTMEN1KMT2AALDH1A1AR
SCHEMBL191668 0.70 ATM (0.50) MAPTMEN1KMT2AALDH1A1GAA

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
US-4457940-A Carboxylic acid ester derivatives, process for manufacturing said derivatives, insecticides and acaricides containing said derivatives, and method for killing insects and acarina by treating therewith DAINIPPON JOCHUGIKU KABUSHIKI KAISHA (JP) 1984-07-03 US disclosed