SCHEMBL28522554

SCHEMBL28522554

Cc1nn(-c2ccccc2)c(Cl)c1C=O.Nc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.54
▸ MAPT P10636 11/20 0.49
▸ MAPK1 P28482 3/20 0.48
▸ LMNA P02545 6/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ NPSR1 Q6W5P4 4/20 0.48
▸ RECQL P46063 2/20 0.48
▸ HTT P42858 2/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ POLB P06746 2/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ TP53 P04637 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 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
SCHEMBL1267498 0.84 SMN1; SMN2 (0.66) SMN1; SMN2MAPTMAPK1LMNAALDH1A1
SCHEMBL29954298 0.78 SMN1; SMN2 (0.49) SMN1; SMN2MAPTMAPK1LMNAALDH1A1
SCHEMBL28521041 0.77 SMN1; SMN2 (0.47) SMN1; SMN2MAPTMAPK1LMNAALDH1A1
SCHEMBL28592291 0.77 SMN1; SMN2 (0.46) SMN1; SMN2MAPTMAPK1LMNAALDH1A1
SCHEMBL15329692 0.73 MAPT (0.54) SMN1; SMN2MAPTMAPK1LMNAALDH1A1
SCHEMBL11384692 0.73 MAPT (0.56) SMN1; SMN2MAPTMAPK1LMNAALDH1A1
SCHEMBL28599185 0.73 SMN1; SMN2 (0.46) SMN1; SMN2MAPTMAPK1LMNAALDH1A1
SCHEMBL11380421 0.72 KMT2A (0.59) SMN1; SMN2MAPTMAPK1LMNAALDH1A1
SCHEMBL2563212 0.71 KMT2A (0.49) SMN1; SMN2MAPTMAPK1LMNAALDH1A1
SCHEMBL15332484 0.71 MAPT (0.53) SMN1; SMN2MAPTMAPK1LMNAALDH1A1

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-108017618-B Novel compound pyrazole aldehyde pyridine amine Schiff base and preparation method and application thereof 淮阴师范学院 2021-02-09 — — CN disclosed
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