SCHEMBL30452925

SCHEMBL30452925

CN1CCC(NC(=O)c2ccc(-c3cnc(N)c(OCc4ccc(Cl)cc4Cl)c3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.60
SLC6A5 Q9Y345 3/20 0.53
BMPR1B O00238 4/20 0.51
BMPR1A P36894 4/20 0.51
ACVRL1 P37023 4/20 0.51
ACVR1 Q04771 4/20 0.51
TGFBR1 P36897 3/20 0.51
FYN P06241 1/20 0.49
F10 P00742 4/20 0.46
ATR Q13535 1/20 0.46
AXL P30530 1/20 0.45
MERTK Q12866 1/20 0.45
WDR5 P61964 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL488334 1.00 MET (0.60) METSLC6A5BMPR1BBMPR1AACVRL1
SCHEMBL487528 0.84 MET (0.60) METSLC6A5BMPR1BBMPR1AACVRL1
SCHEMBL30452905 0.84 MET (0.60) METSLC6A5BMPR1BBMPR1AACVRL1
SCHEMBL30453900 0.84 MET (0.64) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL488239 0.84 MET (0.64) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL487958 0.83 MET (0.61) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30454861 0.83 MET (0.61) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30453516 0.82 MET (0.61) METSLC6A5BMPR1BBMPR1AACVRL1
SCHEMBL487889 0.82 MET (0.61) METSLC6A5BMPR1BBMPR1AACVRL1
SCHEMBL487988 0.81 MET (0.61) METSLC6A5BMPR1BBMPR1AACVRL1

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