SCHEMBL30935211

SCHEMBL30935211

Clc1ncc2c(n1)NCCC2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.41
UHRF1 Q96T88 1/20 0.36
MAPT P10636 1/20 0.34
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
ITGB3 P05106 8/20 0.32
ITGAV P06756 8/20 0.32
ITGB6 P18564 6/20 0.32
KDM4E B2RXH2 1/20 0.32
JAK2 O60674 2/20 0.30
JAK1 P23458 2/20 0.30
TYK2 P29597 2/20 0.30
JAK3 P52333 2/20 0.30
GRM5 P41594 1/20 0.30
STK26 Q9P289 2/20 0.30
STK24 Q9Y6E0 2/20 0.30
STK4 Q13043 1/20 0.30
STK3 Q13188 1/20 0.30

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
SCHEMBL2600058 0.89 NNMT (0.38) NNMTTYRO3DYRK1BKDM4EGRM5
SCHEMBL13355389 0.78 UHRF1 (0.43) NNMTUHRF1MAPTITGB3ITGAV
SCHEMBL24197697 0.75 ITGAV (0.44) NNMTUHRF1MAPTITGB3ITGAV
SCHEMBL26013992 0.74 NNMT (0.38) NNMTUHRF1MAPTITGB3ITGAV
SCHEMBL25468393 0.73 UHRF1 (0.39) NNMTUHRF1MAPTITGB3ITGAV
SCHEMBL1810290 0.72 ITGB3 (0.39) NNMTUHRF1ITGB3ITGAVITGB6
SCHEMBL31000386 0.70 NNMT (0.55) NNMTUHRF1MAPTKDM4EGRM5
SCHEMBL30555417 0.70 KDM4E (0.32) TYRO3DYRK1BKDM4E
SCHEMBL31393519 0.70 KDM4E (0.32) MAPTTYRO3DYRK1BKDM4E
SCHEMBL19033509 0.70 ITGAV (0.35) NNMTUHRF1MAPTITGB3ITGAV

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
WO-2024125464-A1 TETRAHYDROISOQUINOLIN-ONE DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-20 WO disclosed