SCHEMBL28545892

SCHEMBL28545892

CCOC(=O)c1cc(Nc2ccccc2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
LMNA P02545 3/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
ILK Q13418 1/20 0.49
ATM Q13315 1/20 0.49
POLB P06746 1/20 0.48
TP53 P04637 2/20 0.47

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
SCHEMBL8142194 0.81 CYP1A2 (0.46) MAPTLMNAMAPK1SMN1; SMN2NPC1
SCHEMBL8126380 0.80 CYP1A2 (0.51) MAPTLMNAMAPK1SMN1; SMN2NPC1
SCHEMBL3231476 0.80 MAPT (0.61) MAPTLMNAMAPK1HSD17B10SMN1; SMN2
SCHEMBL28543158 0.79 SMN1; SMN2 (0.53) MAPTLMNAMAPK1HSD17B10SMN1; SMN2
SCHEMBL23337477 0.79 ACVRL1 (0.55) MAPTLMNASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL8124072 0.78 GABRA2 (0.50) MAPTLMNAMAPK1SMN1; SMN2NPC1
SCHEMBL15561934 0.77 GABRA1 (0.43) MAPTLMNAMAPK1SMN1; SMN2NPC1
SCHEMBL15561935 0.77 GABRA1 (0.43) MAPTLMNAMAPK1SMN1; SMN2NPC1
SCHEMBL7868789 0.77 AR (0.48) SMN1; SMN2NPC1RAB9AHPGDKMT2A
SCHEMBL7107744 0.77 CDC25B (0.69) MAPTLMNAMAPK1HSD17B10SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111925357-B Acylhydrazone compound, pharmaceutical composition and application thereof 中国科学院昆明植物研究所 2023-06-06 CN disclosed
CN-111925357-A Acylhydrazone compound, pharmaceutical composition and application thereof 中国科学院昆明植物研究所 2020-11-13 CN disclosed