SCHEMBL9702689

SCHEMBL9702689

O=C(NCCCCc1nnn[nH]1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
STS P08842 1/20 0.30

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
SCHEMBL9703869 0.88 CA2 (0.41) L3MBTL1HTTALDH1A1POLBSMN1; SMN2
SCHEMBL9702511 0.87 CA2 (0.40) L3MBTL1HTTALDH1A1POLBSMN1; SMN2
SCHEMBL9703700 0.87 CA2 (0.39) L3MBTL1HTTALDH1A1POLBSMN1; SMN2
SCHEMBL9702006 0.86 CA2 (0.39) L3MBTL1HTTALDH1A1POLBSMN1; SMN2
SCHEMBL9702687 0.84 MEN1 (0.38) L3MBTL1HTTALDH1A1POLBSMN1; SMN2
SCHEMBL9702524 0.84 CA1 (0.42) L3MBTL1HTTALDH1A1POLBSMN1; SMN2
SCHEMBL9702987 0.79 CA1 (0.46) L3MBTL1HTTALDH1A1CA1CA2
SCHEMBL10649025 0.73 HDAC7 (0.43) L3MBTL1HTTCA1CA2
SCHEMBL10649326 0.73 HDAC7 (0.43) L3MBTL1HTTCA1CA2
SCHEMBL18839683 0.72 EPHX2 (0.32) ALDH1A1SMN1; SMN2KMT2A

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
WO-1992011248-A1 NOVEL ALIPHATIC AMIDES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1992-07-09 WO disclosed