SCHEMBL14918705

SCHEMBL14918705

O=C(C=Cc1ccccc1)NCCOc1ccc(-c2noc(C(F)(F)F)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 1/20 0.57
HDAC4 P56524 13/20 0.53
HDAC6 Q9UBN7 12/20 0.53
HDAC1 Q13547 4/20 0.52
ALDH1A1 P00352 1/20 0.47
HDAC5 Q9UQL6 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
SCHEMBL14918703 1.00 SMN1; SMN2 (0.59) SMN1; SMN2RAB9AKMT2AHDAC4HDAC6
SCHEMBL14917778 0.94 HDAC4 (0.52) SMN1; SMN2RAB9AKMT2AHDAC4HDAC6
SCHEMBL14917779 0.94 HDAC4 (0.52) SMN1; SMN2RAB9AKMT2AHDAC4HDAC6
SCHEMBL14918029 0.91 HDAC6 (0.53) SMN1; SMN2RAB9AKMT2AHDAC4HDAC6
SCHEMBL14918031 0.91 HDAC6 (0.53) SMN1; SMN2RAB9AKMT2AHDAC4HDAC6
SCHEMBL14918063 0.91 HDAC4 (0.54) SMN1; SMN2RAB9AKMT2AHDAC4HDAC6
SCHEMBL14918061 0.91 HDAC4 (0.54) SMN1; SMN2RAB9AKMT2AHDAC4HDAC6
SCHEMBL14917723 0.91 SMN1; SMN2 (0.58) SMN1; SMN2RAB9AKMT2AHDAC4HDAC6
SCHEMBL14917726 0.91 SMN1; SMN2 (0.58) SMN1; SMN2RAB9AKMT2AHDAC4HDAC6
SCHEMBL14918219 0.90 HDAC4 (0.50) SMN1; SMN2RAB9AKMT2AHDAC4HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013066833-A1 COMPOUNDS AND METHODS TO INHIBIT HISTONE DEACETYLASE (HDAC) ENZYMES GLAXOSMITHKLINE LLC (US) 2013-05-10 WO claimed
WO-2013066833-A1 COMPOUNDS AND METHODS TO INHIBIT HISTONE DEACETYLASE (HDAC) ENZYMES GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed