SCHEMBL19631401

SCHEMBL19631401

C/C=C/c1ccc(C(=O)Nc2cccc3cccnc23)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.72
KDR P35968 4/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
GAA P10253 2/20 0.67
TDP1 Q9NUW8 1/20 0.67
MAPT P10636 5/20 0.66
TP53 P04637 2/20 0.66
KMT2A Q03164 4/20 0.63
POLB P06746 1/20 0.63
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
CASP3 P42574 1/20 0.62
SENP8 Q96LD8 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
SENP6 Q9GZR1 1/20 0.62
KDM4E B2RXH2 2/20 0.62
HTT P42858 1/20 0.60
LMNA P02545 1/20 0.59
MEN1 O00255 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL19631371 0.86 HDAC6 (0.66) HDAC6KDRL3MBTL1GAATDP1
SCHEMBL19631338 0.85 HDAC6 (0.73) HDAC6KDRL3MBTL1GAATDP1
SCHEMBL21356262 0.85 HDAC6 (0.73) HDAC6KDRL3MBTL1GAATDP1
SCHEMBL29647754 0.84 HDAC6 (1.00) HDAC6KDRL3MBTL1GAATDP1
SCHEMBL19631488 0.84 HDAC6 (1.00) HDAC6KDRL3MBTL1GAATDP1
SCHEMBL29655132 0.83 HDAC6 (0.77) HDAC6KDRL3MBTL1GAATDP1
SCHEMBL16456332 0.83 HDAC6 (0.77) HDAC6KDRL3MBTL1GAATDP1
SCHEMBL24522582 0.82 HDAC6 (0.68) HDAC6KDRL3MBTL1GAATDP1
SCHEMBL15270551 0.81 HDAC6 (0.79) HDAC6KDRL3MBTL1GAATDP1
SCHEMBL6260903 0.81 KDR (1.00) HDAC6KDRL3MBTL1GAATDP1

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
EP-3458444-B1 HISTONE DEACETYLASE 6 INHIBITORS AND USE THEREOF UNIV TAIPEI MEDICAL (TW) 2022-06-22 EP disclosed
WO-2017200966-A1 HISTONE DEACETYLASE 6 INHIBITORS AND USE THEREOF DCB-USA LLC (US) 2017-11-23 WO disclosed