SCHEMBL29670519

SCHEMBL29670519

NC(=O)CCC(=O)c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.57
HDAC1 Q13547 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KMT2A Q03164 3/20 0.50
OGG1 O15527 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
HSD11B1 P28845 1/20 0.49
HSP90AA1 P07900 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL28761395 0.90 HDAC1 (0.61) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL241664 0.89 GSK3B (0.70) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL10789857 0.81 TSHR (0.52) SMN1; SMN2KMT2APOLBALDH1A1LMNA
SCHEMBL7238392 0.81 USP5 (0.44) SMN1; SMN2KMT2AMEN1POLBALDH1A1
SCHEMBL20799581 0.81 GSK3B (0.59) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL11060497 0.81 OGG1 (0.63) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL100952 0.81 NR4A2 (0.65) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL133319 0.80 HDAC1 (0.75) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL6286372 0.79 GSK3B (0.57) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL6458755 0.79 NPC1 (0.67) SMN1; SMN2KMT2AMEN1HSD11B1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022115384-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-06-02 WO disclosed