SCHEMBL8557288

SCHEMBL8557288

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 18/20 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
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL9089935 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) HDAC6BRD4
SCHEMBL8824429 0.79 THRA (0.39) HDAC6HDAC2HDAC3NCOR1HDAC1
SCHEMBL9089670 0.75 RAB9A (0.40) HDAC6HDAC2HDAC3NCOR1HDAC1
SCHEMBL8553780 0.75 NPC1 (0.36) HDAC6
SCHEMBL8555548 0.74 LMNA (0.40)

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-5846986-A Therapeutic phenoxyalkylazoles and phenoxyalkylazines SANOFI (FR) 1998-12-08 US disclosed
US-5721261-A TREATING PICORNAVIRUS INFECTIONS SANOFI PHARMACEUTICALS, INC. (US) 1998-02-24 US disclosed