SCHEMBL14524982

SCHEMBL14524982

CC(C)(C)OC(=O)N[C@H]1CCCC1NC(=O)c1ccc(Cl)s1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 15/20 0.51
▸ F2 P00734 3/20 0.51
▸ HDAC4 P56524 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ TAS1R2 Q8TE23 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL5432603 1.00 F10 (0.51) F10F2HDAC4HDAC6SMN1; SMN2
SCHEMBL5432602 1.00 F10 (0.51) F10F2HDAC4HDAC6SMN1; SMN2
SCHEMBL13461888 0.78 F10 (0.55) F10F2SMN1; SMN2KMT2AMEN1
SCHEMBL4691317 0.77 F10 (0.54) F10F2SMN1; SMN2KMT2AMEN1
SCHEMBL8305363 0.77 F10 (0.54) F10F2SMN1; SMN2KMT2AMEN1
SCHEMBL8354818 0.77 F10 (0.54) F10F2SMN1; SMN2KMT2AMEN1
SCHEMBL31467437 0.77 TSHR (0.72) HDAC4HDAC6SMN1; SMN2KMT2AMEN1
SCHEMBL24062392 0.77 BTK (0.57) HDAC4HDAC6KMT2AGAAL3MBTL1
SCHEMBL12649367 0.77 BTK (0.57) HDAC4HDAC6KMT2AGAAL3MBTL1
SCHEMBL16099696 0.77 BTK (0.57) HDAC4HDAC6KMT2AGAAL3MBTL1

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
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 — — US disclosed
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