SCHEMBL14201062

SCHEMBL14201062

CCCCCCc1c(CC)cccc1NC(=O)CC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
HPGD P15428 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
POLB P06746 2/20 0.41
CETP P11597 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
SCHEMBL14201075 0.99 SMN1; SMN2 (0.50) SMN1; SMN2HTTHPGDNPC1RAB9A
SCHEMBL14201136 0.95 HPGD (0.53) SMN1; SMN2HTTHPGDNPC1RAB9A
SCHEMBL14201087 0.94 SMN1; SMN2 (0.48) SMN1; SMN2HTTHPGDNPC1RAB9A
SCHEMBL14201086 0.92 SMN1; SMN2 (0.49) SMN1; SMN2HTTHPGDNPC1RAB9A
SCHEMBL14201095 0.89 SMN1; SMN2 (0.54) SMN1; SMN2HTTHPGDNPC1RAB9A
SCHEMBL14201139 0.88 HPGD (0.52) SMN1; SMN2HTTHPGDNPC1RAB9A
SCHEMBL14201053 0.88 SMN1; SMN2 (0.50) SMN1; SMN2HTTHPGDNPC1RAB9A
SCHEMBL14201058 0.88 SMN1; SMN2 (0.58) SMN1; SMN2HTTHPGDNPC1RAB9A
SCHEMBL14201051 0.87 SMN1; SMN2 (0.51) SMN1; SMN2HTTHPGDNPC1RAB9A
SCHEMBL14201065 0.85 SMN1; SMN2 (0.52) SMN1; SMN2HTTHPGDNPC1RAB9A

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-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