SCHEMBL30453900

SCHEMBL30453900

CN1CCN(C(=O)c2ccc(-c3cnc(N)c(OCc4ccc(Cl)cc4Cl)c3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.64
USP2 O75604 1/20 0.58
HPGD P15428 1/20 0.58
KCNH2 Q12809 3/20 0.55
BMPR1B O00238 2/20 0.49
BMPR1A P36894 2/20 0.49
ACVRL1 P37023 2/20 0.49
ACVR1 Q04771 2/20 0.49
TGFBR1 P36897 1/20 0.49
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.46
MERTK Q12866 1/20 0.46
SYK P43405 1/20 0.45
MAP4K4 O95819 1/20 0.45
MAPKAPK2 P49137 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
SCHEMBL488239 1.00 MET (0.64) METUSP2HPGDKCNH2BMPR1B
SCHEMBL30453352 0.93 MET (0.64) METUSP2HPGDKCNH2MAP4K4
SCHEMBL487655 0.93 MET (0.64) METUSP2HPGDKCNH2MAP4K4
SCHEMBL488152 0.92 MET (0.55) METUSP2HPGDKCNH2BMPR1B
SCHEMBL30452936 0.92 MET (0.55) METUSP2HPGDKCNH2BMPR1B
SCHEMBL488445 0.90 MET (0.63) METUSP2HPGDKCNH2BMPR1B
SCHEMBL30453079 0.90 MET (0.63) METUSP2HPGDKCNH2BMPR1B
SCHEMBL488535 0.85 MET (0.69) METMERTK
SCHEMBL30453020 0.85 MET (0.69) METMERTK
SCHEMBL30453146 0.85 MET (0.63) METUSP2HPGDKCNH2BMPR1B

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