SCHEMBL29450623

SCHEMBL29450623

Nc1ccccc1-c1ccncc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
HSD17B10 Q99714 3/20 0.65
ATAD2 Q6PL18 1/20 0.61
ACE2 Q9BYF1 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.55
IMPDH2 P12268 2/20 0.50
NOTUM Q6P988 1/20 0.50
MAPT P10636 7/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TP53 P04637 2/20 0.47
MAPK10 P53779 2/20 0.47
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
LMNA P02545 2/20 0.46
JAK2 O60674 1/20 0.44
IDO1 P14902 1/20 0.44
MAPK1 P28482 2/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL396362 1.00 ALDH1A1 (0.65) ALDH1A1HSD17B10ATAD2ACE2L3MBTL1
Hydrochloric Acid SCHEMBL3381632 0.98 ALDH1A1 (0.62) ALDH1A1HSD17B10ATAD2ACE2L3MBTL1
Pyridine SCHEMBL27788673 0.86 ALDH1A1 (0.74) ALDH1A1HSD17B10ATAD2ACE2L3MBTL1
SCHEMBL15364728 0.82 IMPDH2 (0.51) ALDH1A1HSD17B10ATAD2ACE2L3MBTL1
SCHEMBL30708901 0.82 NOTUM (0.63) ALDH1A1HSD17B10ATAD2IMPDH2NOTUM
SCHEMBL4032281 0.82 NOTUM (0.63) ALDH1A1HSD17B10ATAD2IMPDH2NOTUM
SCHEMBL6480845 0.82 ALDH1A1 (0.83) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2NPC1
SCHEMBL8115984 0.80 IMPDH2 (0.59) ALDH1A1HSD17B10ATAD2ACE2IMPDH2
Hydrochloric Acid SCHEMBL29427302 0.80 ALDH1A1 (0.90) ALDH1A1HSD17B10ATAD2L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL15571781 0.80 ALDH1A1 (0.90) ALDH1A1HSD17B10ATAD2L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118721925-A Electronic polycrystalline silicon multifunctional inner packaging material and preparation method thereof 四川固朔新材料有限公司 2024-10-01 CN claimed
CN-118721925-A Electronic polycrystalline silicon multifunctional inner packaging material and preparation method thereof 四川固朔新材料有限公司 2024-10-01 CN disclosed
CN-118721925-A Electronic polycrystalline silicon multifunctional inner packaging material and preparation method thereof 四川固朔新材料有限公司 2024-10-01 CN disclosed
WO-2022030589-A1 LIGAND CONTAINING MONODENTATE COORDINATION UREA COMPOUND, AND BORYLATION CATALYST CONTAINING SAME 国立大学法人北海道大学 2022-02-10 WO disclosed