SCHEMBL21067768

SCHEMBL21067768

N=C(N)NCCCCNC(=O)c1csc(-c2cscn2)n1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.72
HDAC3 O15379 17/20 0.72
HDAC6 Q9UBN7 13/20 0.72
HDAC8 Q9BY41 3/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
HPGDS O60760 1/20 0.41

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
SCHEMBL15580255 0.84 HDAC3 (1.00) HDAC1HDAC3HDAC6HDAC8HDAC2
SCHEMBL29827523 0.75 HDAC1 (0.52) HDAC1HDAC3HDAC6HDAC8
SCHEMBL19114550 0.75 HDAC1 (0.69) HDAC1HDAC3HDAC6HDAC8HDAC2
SCHEMBL19114280 0.74 HDAC1 (0.74) HDAC1HDAC3HDAC6HDAC8HDAC2
SCHEMBL21663724 0.72 HDAC1 (0.49) HDAC1HDAC3HDAC6HDAC8
SCHEMBL21663988 0.72 HDAC1 (0.49) HDAC1HDAC3HDAC6HDAC8
SCHEMBL15580281 0.71 HDAC1 (0.53) HDAC1HDAC3HDAC6HDAC8HPGDS
SCHEMBL19114239 0.70 HDAC1 (0.53) HDAC1HDAC3HDAC6HDAC8HPGDS
SCHEMBL15580223 0.69 HDAC3 (1.00) HDAC1HDAC3HDAC6HDAC8HDAC2
SCHEMBL15580301 0.68 HDAC1 (0.71) HDAC1HDAC3HDAC6HDAC8HDAC2

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-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed