SCHEMBL14201051

SCHEMBL14201051

CCCCCc1c(C)cccc1NC(=O)CC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
P2RX7 Q99572 1/20 0.43
MAPT P10636 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
SCHEMBL14201053 0.99 SMN1; SMN2 (0.50) SMN1; SMN2HTTHPGDRAB9ANPC1
SCHEMBL14201050 0.96 HPGD (0.55) SMN1; SMN2HTTHPGDRAB9ANPC1
SCHEMBL14201093 0.92 SMN1; SMN2 (0.54) SMN1; SMN2HTTHPGDRAB9ANPC1
SCHEMBL14201075 0.88 SMN1; SMN2 (0.50) SMN1; SMN2HTTHPGDRAB9ANPC1
SCHEMBL14201062 0.87 SMN1; SMN2 (0.49) SMN1; SMN2HTTHPGDRAB9ANPC1
SCHEMBL14201086 0.87 SMN1; SMN2 (0.49) SMN1; SMN2HTTHPGDRAB9ANPC1
SCHEMBL14201049 0.86 SMN1; SMN2 (0.56) SMN1; SMN2HTTHPGDRAB9ANPC1
SCHEMBL14201087 0.86 SMN1; SMN2 (0.48) SMN1; SMN2HTTHPGDRAB9ANPC1
SCHEMBL14543581 0.85 POLB (0.45) SMN1; SMN2HTTHPGDRAB9ANPC1
SCHEMBL14230176 0.85 MAPK1 (0.53) HTTMEN1KMT2AHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed