SCHEMBL30453684

SCHEMBL30453684

Nc1ncc(-c2cccc(C(=O)N3CC[C@@H](N)C3)c2)nc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
CSF1R P07333 2/20 0.45
ATR Q13535 13/20 0.45
MET P08581 1/20 0.43
LOX P28300 2/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
KDM1A O60341 1/20 0.38

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
SCHEMBL30454761 1.00 KCNH2 (0.47) KCNH2CSF1RATRMETLOX
SCHEMBL488252 1.00 KCNH2 (0.47) KCNH2CSF1RATRMETLOX
SCHEMBL487949 1.00 KCNH2 (0.47) KCNH2CSF1RATRMETLOX
SCHEMBL10216280 0.91 KCNH2 (0.58) KCNH2CSF1RATRMETKDM1A
SCHEMBL487921 0.91 KCNH2 (0.58) KCNH2CSF1RATRMETKDM1A
SCHEMBL30453824 0.91 KCNH2 (0.58) KCNH2CSF1RATRMETKDM1A
SCHEMBL488340 0.89 ATR (0.57) CSF1RATR
SCHEMBL14492860 0.89 ATR (0.57) CSF1RATR
SCHEMBL30453677 0.89 ATR (0.57) CSF1RATR
SCHEMBL488097 0.88 ATR (0.56) CSF1RATRMET

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