SCHEMBL30452449

SCHEMBL30452449

CC(Oc1cc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cnc1N)c1cccc(F)c1C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.68
BMPR1B O00238 1/20 0.46
BMPR1A P36894 1/20 0.46
TGFBR1 P36897 1/20 0.46
ACVRL1 P37023 1/20 0.46
ACVR1 Q04771 1/20 0.46
ATR Q13535 5/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
NEK2 P51955 1/20 0.42
MAP4K4 O95819 1/20 0.42
CD274 Q9NZQ7 2/20 0.41

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
SCHEMBL488550 1.00 MET (0.68) METBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30453107 0.96 MET (0.62) METBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL488608 0.96 MET (0.62) METBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30452884 0.94 MET (0.59) METNEK2CD274
SCHEMBL488139 0.94 MET (0.59) METNEK2CD274
SCHEMBL488486 0.89 MET (0.54) METNEK2CD274
SCHEMBL30453390 0.89 MET (0.54) METNEK2CD274
SCHEMBL30452899 0.84 MET (0.48) METBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL488715 0.84 MET (0.48) METBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL27630301 0.84 MET (0.47) METNEK2

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