SCHEMBL30454986

SCHEMBL30454986

Nc1ncc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.61
CD274 Q9NZQ7 11/20 0.54
ALDH1A1 P00352 1/20 0.51
HTR1A P08908 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
KCNH2 Q12809 1/20 0.51
HPGD P15428 1/20 0.49
BMPR1B O00238 1/20 0.47
BMPR1A P36894 1/20 0.47
TGFBR1 P36897 1/20 0.47
ACVRL1 P37023 1/20 0.47
ACVR1 Q04771 1/20 0.47
HPGDS O60760 1/20 0.47

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
SCHEMBL488567 1.00 MET (0.61) METCD274ALDH1A1HTR1AMAOA
SCHEMBL487849 0.95 MET (0.56) METCD274BMPR1BBMPR1ATGFBR1
SCHEMBL30452926 0.95 MET (0.56) METCD274BMPR1BBMPR1ATGFBR1
SCHEMBL30453942 0.93 MET (0.70) METCD274ALDH1A1BMPR1BBMPR1A
SCHEMBL487903 0.93 MET (0.70) METCD274ALDH1A1BMPR1BBMPR1A
SCHEMBL30454809 0.92 MAP4K4 (0.53) METCD274
SCHEMBL488204 0.92 MAP4K4 (0.53) METCD274
SCHEMBL488192 0.91 MET (0.62) METCD274HPGDHPGDS
SCHEMBL30453097 0.91 MET (0.62) METCD274HPGDHPGDS
SCHEMBL488244 0.88 MET (0.64) METHTR1ABMPR1BBMPR1ATGFBR1

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