SCHEMBL9089935

SCHEMBL9089935

C#CCNC(=O)CCCOc1c(C)cc(-c2nnn(C)n2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.39
HDAC2 Q92769 2/20 0.37
HDAC3 O15379 1/20 0.37
NCOR1 O75376 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
TP53 P04637 1/20 0.34
KIFC1 Q9BW19 1/20 0.34
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
BRD4 O60885 1/20 0.34
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8557288 0.83 HDAC6 (0.39) HDAC6HDAC2HDAC3NCOR1HDAC1
SCHEMBL9091116 0.82 TSHR (0.43) HDAC6HDAC2HDAC3NCOR1HDAC1
SCHEMBL8604570 0.82 HDAC6 (0.38) HDAC6HDAC2HDAC3NCOR1HDAC1
SCHEMBL8551826 0.82 FFAR4 (0.44) HDAC6TP53
SCHEMBL8553882 0.81 HDAC6 (0.37) HDAC6HDAC2HDAC3NCOR1HDAC1
SCHEMBL9089363 0.79 NPSR1 (0.42) HDAC6KIFC1BRD4
SCHEMBL8824429 0.79 THRA (0.39) HDAC6HDAC2HDAC3NCOR1HDAC1
SCHEMBL9089670 0.75 RAB9A (0.40) HDAC6HDAC2HDAC3NCOR1HDAC1
SCHEMBL8553780 0.75 NPC1 (0.36) HDAC6SMN1; SMN2
SCHEMBL8555548 0.74 LMNA (0.40) SMN1; SMN2

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
US-5552420-A TREATING PICORNAVIRAL INFECTIONS STERLING WINTHROP INC. (US) 1996-09-03 US disclosed
WO-1995031452-A1 THERAPEUTIC PHENOXYALKYLAZOLES AND PHENOXYALKYLAZINES SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed