SCHEMBL30454737

SCHEMBL30454737

Nc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cc1OCc1cccc(F)c1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 12/20 0.57
MERTK Q12866 4/20 0.49
AXL P30530 3/20 0.49
ALK Q9UM73 1/20 0.46
ATR Q13535 1/20 0.44
AVPR2 P30518 1/20 0.43
AVPR1A P37288 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL488031 1.00 MET (0.57) METMERTKAXLALKATR
SCHEMBL10217439 0.91 MET (0.60) METMERTKAXLATRAVPR2
SCHEMBL487635 0.88 MET (0.69) METMERTKAXLALKATR
SCHEMBL30453248 0.88 MET (0.69) METMERTKAXLALKATR
SCHEMBL10217547 0.88 MET (0.56) METMERTKAXLALKATR
SCHEMBL10217555 0.87 MET (0.57) METMERTKAXLALKATR
SCHEMBL488288 0.86 KCNH2 (0.56) METMERTKAXL
SCHEMBL30454652 0.86 KCNH2 (0.56) METMERTKAXL
SCHEMBL10217508 0.86 MET (0.61) METMERTKAXLATRKDM4E
SCHEMBL10217651 0.86 MET (0.58) METMERTKAXLALKATR

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