SCHEMBL28360244

SCHEMBL28360244

O=C(Nc1cccc(F)c1)OC(=O)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ RAB9A P51151 6/20 0.52
▸ NPC1 O15118 6/20 0.52
▸ GAA P10253 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ TSHR P16473 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ EPHX2 P34913 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL28263497 0.82 GAA (0.53) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL5554181 0.81 MAPT (0.57) MEN1KMT2ARAB9AGAASMN1; SMN2
SCHEMBL306352 0.81 KMT2A (0.53) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL27923186 0.81 GAA (0.62) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL4312525 0.80 MAPT (0.54) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL28262349 0.78 KMT2A (0.55) MEN1KMT2AGAASMN1; SMN2TSHR
SCHEMBL7864456 0.77 GAA (0.47) GAAALDH1A1
SCHEMBL2091913 0.77 MEN1 (0.62) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL15000050 0.77 MEN1 (0.54) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL28863079 0.77 RAB9A (0.50) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1

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-106349158-B C-Met small molecule inhibitor, pharmaceutical composition containing same and pharmaceutical application thereof 杭州市西溪医院 2020-02-28 — — CN disclosed
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