SCHEMBL14304537

SCHEMBL14304537

C=NNc1ccccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.46
MAPT P10636 6/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
ALOX15 P16050 2/20 0.43
TP53 P04637 1/20 0.43
APP P05067 1/20 0.43
HPGD P15428 1/20 0.43
SNCA P37840 1/20 0.43
BLM P54132 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL13632761 0.82 CD44 (0.38) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL14645039 0.76 GAA (0.46) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL8338686 0.73 TDP1 (0.50) GAAMAPTKDM4EALDH1A1TDP1
SCHEMBL1488269 0.72
SCHEMBL23848857 0.71 POLB (0.43) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL18137930 0.71 MAPT (0.48) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL20283447 0.71 L3MBTL1 (0.42) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL1096366 0.71 MAPT (0.48) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL25078194 0.71 RAB9A (0.45) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14465374 0.71 TDP1 (0.48) GAAMAPTKDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018224-B2 Hydraulic fluid AFTON CHEMICAL CORPORATION (US) 2024-06-25 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed
EP-1854867-A1 New stabilized fuel composition REPSOL YPF S.A. (ES) 2007-11-14 EP disclosed