SCHEMBL29239352

SCHEMBL29239352

CN(C)c1ccc(-c2ccccc2)cc1.CN(C)c1ccc(-c2ccccc2)cc1.[Ni]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
TSHR P16473 4/20 0.58
HSD17B10 Q99714 2/20 0.58
ALOX15 P16050 1/20 0.58
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
CHKA P35790 2/20 0.55
MAPK1 P28482 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
RELA Q04206 1/20 0.54
RAB9A P51151 3/20 0.50
HPGD P15428 3/20 0.50
NPC1 O15118 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NOX1 Q9Y5S8 1/20 0.50
LMNA P02545 2/20 0.49
NPY1R P25929 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL2778637 0.97 ALDH1A1 (0.61) ALDH1A1TSHRHSD17B10ALOX15MAPT
SCHEMBL15125583 0.97 ALDH1A1 (0.61) ALDH1A1TSHRHSD17B10ALOX15MAPT
Hydrochloric Acid SCHEMBL2861594 0.95 ALDH1A1 (0.58) ALDH1A1TSHRHSD17B10ALOX15MAPT
Phosphine SCHEMBL28255440 0.95 ALDH1A1 (0.58) ALDH1A1TSHRHSD17B10ALOX15MAPT
SCHEMBL17735817 0.90 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10ALOX15MAPT
SCHEMBL26378087 0.88 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10ALOX15MAPT
SCHEMBL14065149 0.88 PNPLA2 (0.53) ALDH1A1TSHRHSD17B10ALOX15MAPT
SCHEMBL11547412 0.86 ALDH1A1 (0.79) ALDH1A1TSHRHSD17B10ALOX15MAPT
SCHEMBL124209 0.86 ALDH1A1 (0.79) ALDH1A1TSHRHSD17B10ALOX15MAPT
SCHEMBL16837157 0.85 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10ALOX15MAPT

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-117915732-A Display device 三星显示有限公司 2024-04-19 CN disclosed