SCHEMBL28248341

SCHEMBL28248341

N#Cc1cc(N)n(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.43
▸ RPA1 P27694 3/20 0.42
▸ GAA P10253 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KMO O15229 1/20 0.38
▸ AR P10275 2/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL29083293 0.79 XDH (0.42) MAPTL3MBTL1MAPK1LMNASMN1; SMN2
SCHEMBL28284102 0.78 LMNA (0.41) MAPTL3MBTL1MAPK1ALDH1A1GAA
SCHEMBL28395393 0.78 MAPT (0.57) MAPTL3MBTL1MAPK1ALDH1A1GAA
SCHEMBL28226658 0.78 PTGS2 (0.54) MAPTL3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL7489890 0.78 KDR (0.40) MAPTALDH1A1GAAHTTLMNA
SCHEMBL28226587 0.78 LMNA (0.41) MAPTL3MBTL1MAPK1RECQLALDH1A1
SCHEMBL244194 0.77 MAPK1 (0.56) MAPTL3MBTL1MAPK1ALDH1A1GAA
SCHEMBL31457162 0.76 ALDH1A1 (0.63) MAPTL3MBTL1MAPK1RECQLALDH1A1
SCHEMBL10384028 0.76 ALDH1A1 (0.63) MAPTL3MBTL1MAPK1RECQLALDH1A1
SCHEMBL20386583 0.76 L3MBTL1 (0.49) MAPTL3MBTL1MAPK1RECQLALDH1A1

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-104829538-B Pyrazole compound containing chrysanthemic acid structure, preparation method and application 南京工业大学 2018-10-16 — — CN disclosed
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