SCHEMBL30725465

SCHEMBL30725465

C=C(OCC)c1nc(Cl)ncc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.48
TP53 P04637 7/20 0.48
TLR9 Q9NR96 3/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 2/20 0.48
XBP1 P17861 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
DGAT1 O75907 1/20 0.35
GLP1R P43220 1/20 0.35
RAB9A P51151 2/20 0.34
PAX8 Q06710 1/20 0.34
HPGD P15428 2/20 0.34
MITF O75030 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.32

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
SCHEMBL29174628 1.00 MAPT (0.48) MAPTTP53TLR9NPC1ALDH1A1
SCHEMBL21854489 0.87 ALDH1A1 (0.38) MAPTTP53TLR9NPC1ALDH1A1
SCHEMBL15109519 0.84 MAPT (0.37) MAPTTP53TLR9NPC1ALDH1A1
SCHEMBL4184662 0.84 ALDH1A1 (0.41) MAPTTP53TLR9NPC1ALDH1A1
SCHEMBL458516 0.83 ALDH1A1 (0.41) MAPTTP53TLR9NPC1ALDH1A1
SCHEMBL16709919 0.80 MAPT (0.67) MAPTTP53TLR9NPC1ALDH1A1
SCHEMBL30173602 0.80 MAPT (0.67) MAPTTP53TLR9NPC1ALDH1A1
SCHEMBL16449235 0.77 ALDH1A1 (0.40) MAPTTP53TLR9NPC1ALDH1A1
SCHEMBL690399 0.75 DGAT1 (0.46) MAPTTP53TLR9NPC1ALDH1A1
SCHEMBL30937640 0.73 ALDH1A1 (0.38) MAPTTP53TLR9NPC1ALDH1A1

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-117430589-A 2-aminopyrimidine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-01-23 CN disclosed