SCHEMBL22019579

SCHEMBL22019579

CC(c1ccccc1)N1CCN(c2ncc(C(=O)c3cccc(S(C)(=O)=O)c3)s2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OGA O60502 18/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
MLYCD O95822 1/20 0.44

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
SCHEMBL21962656 0.85 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21962569 0.84 MLYCD (0.49) OGAHDAC3HDAC4HDAC1HDAC7
SCHEMBL21962778 0.84 MLYCD (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21962816 0.83 MLYCD (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22019123 0.82 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21962642 0.82 DRD2 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21962425 0.81 MLYCD (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21962622 0.81 RAF1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21962437 0.81 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21962573 0.81 MLYCD (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2020102575-A1 HETEROCYCLIC AMINOTHIAZOLES AND USES THEREOF INCEPTION IBD, INC. (US) 2020-05-22 WO disclosed