SCHEMBL30453931

SCHEMBL30453931

Nc1ncc(-c2ccc(C(=O)O)cc2)nc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 4/20 0.61
ATR Q13535 1/20 0.47
MAP4K4 O95819 5/20 0.46
MET P08581 2/20 0.46
LDHA P00338 1/20 0.46
LDHB P07195 1/20 0.46
NEK2 P51955 1/20 0.43
CHEK1 O14757 2/20 0.42
CHEK2 O96017 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL488037 1.00 CSF1R (0.61) CSF1RATRMAP4K4METLDHA
SCHEMBL30453813 0.87 CSF1R (0.66) CSF1RATRMETCHEK2KDM4E
SCHEMBL488005 0.87 CSF1R (0.66) CSF1RATRMETCHEK2KDM4E
SCHEMBL30454422 0.86 CSF1R (0.67) CSF1RMETCHEK2KDM4E
SCHEMBL488652 0.86 CSF1R (0.67) CSF1RMETCHEK2KDM4E
SCHEMBL30454721 0.84 CSF1R (0.45) CSF1RATRMAP4K4METLDHA
SCHEMBL488449 0.84 CSF1R (0.45) CSF1RATRMAP4K4METLDHA
SCHEMBL10381288 0.80 NEK2 (0.43) CSF1RATRMAP4K4METLDHA
SCHEMBL15542410 0.80 LDHB (0.61) CSF1RATRMAP4K4LDHALDHB
SCHEMBL488702 0.79 MET (0.60) CSF1RATRMAP4K4METLDHA

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-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed