SCHEMBL2431450

SCHEMBL2431450

CC(N)Nc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.69
HSD17B10 Q99714 6/20 0.69
TDP1 Q9NUW8 5/20 0.69
CYP3A4 P08684 5/20 0.69
ALOX12 P18054 4/20 0.69
TSHR P16473 4/20 0.69
ALOX15 P16050 3/20 0.69
L3MBTL1 Q9Y468 3/20 0.69
LMNA P02545 3/20 0.69
THRB P10828 1/20 0.69
RECQL P46063 1/20 0.69
ATM Q13315 1/20 0.69
MAPK1 P28482 2/20 0.58
HIF1A Q16665 1/20 0.58
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56
PTGS2 P35354 1/20 0.56
HTR2B P41595 1/20 0.56
MAPT P10636 7/20 0.52
HPGD P15428 3/20 0.52

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
SCHEMBL1061133 0.91 TDP1 (0.64) ALDH1A1HSD17B10TDP1CYP3A4ALOX12
Diphenylamine SCHEMBL29088504 0.84 HSD17B10 (0.67) ALDH1A1HSD17B10TDP1CYP3A4ALOX12
SCHEMBL19018345 0.82 ALDH1A1 (0.75) ALDH1A1HSD17B10TDP1CYP3A4ALOX12
SCHEMBL38820 0.82 ALDH1A1 (1.00) ALDH1A1HSD17B10TDP1CYP3A4ALOX12
N,N'-Diphenyl-P-Phenylenediamine SCHEMBL10454791 0.80 ALDH1A1 (0.95) ALDH1A1HSD17B10TDP1CYP3A4ALOX12
SCHEMBL8467092 0.80 ALDH1A1 (0.95) ALDH1A1HSD17B10TDP1CYP3A4ALOX12
N,N'-Diphenyl-P-Phenylenediamine SCHEMBL10454790 0.80 ALDH1A1 (0.95) ALDH1A1HSD17B10TDP1CYP3A4ALOX12
Hydrogen Sulfide SCHEMBL8467082 0.80 ALDH1A1 (0.95) ALDH1A1HSD17B10TDP1CYP3A4ALOX12
SCHEMBL22159079 0.78 ALDH1A1 (0.57) ALDH1A1HSD17B10TDP1CYP3A4ALOX12
SCHEMBL809564 0.78 ALDH1A1 (0.69) ALDH1A1HSD17B10TDP1CYP3A4ALOX12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011107336-A1 FUNCTIONALIZED OLEFIN COPOLYMER DSM IP ASSETS B.V. (NL) 2011-09-09 WO claimed
WO-2011107336-A1 FUNCTIONALIZED OLEFIN COPOLYMER DSM IP ASSETS B.V. (NL) 2011-09-09 WO disclosed