Sugi Predict

Sugi Predict / Compounds / SCHEMBL15580289

SCHEMBL15580289

SCHEMBL15580289

C=C(N[C@H](C(=O)OC/C=C/CCSC(=O)CCCCCCC)C(C)C)c1csc(-c2cscn2)n1

nearest known ligand 0.86

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 13/20 0.86
▸ HDAC3 O15379 10/20 0.86
▸ HDAC6 Q9UBN7 6/20 0.60
▸ HDAC4 P56524 2/20 0.35
▸ HDAC2 Q92769 2/20 0.32
▸ HDAC10 Q969S8 2/20 0.32
▸ HDAC8 Q9BY41 1/20 0.30
▸ NCOR2 Q9Y618 1/20 0.30

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
SCHEMBL15580229 0.93 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC4HDAC2
SCHEMBL15580182 0.81 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC4HDAC2
SCHEMBL19114024 0.75 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC8
SCHEMBL15580186 0.75 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC8
SCHEMBL15745568 0.72 HDAC1 (0.75) HDAC1HDAC3HDAC6HDAC8
SCHEMBL19114453 0.68 HDAC1 (0.56) HDAC1HDAC3HDAC6HDAC8
SCHEMBL15580257 0.63 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC8
SCHEMBL19114185 0.61 HDAC1 (0.68) HDAC1HDAC3HDAC6HDAC8
SCHEMBL13297066 0.61 RAB9A (0.59) HDAC1HDAC3HDAC6
SCHEMBL15580223 0.60 HDAC3 (1.00) HDAC1HDAC3HDAC6HDAC4HDAC2

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
EP-2708534-A1 THIAZOLE COMPOUND AND PREPARATION METHOD AND USE THEREOF Shanghai Puyi Chemical Co., Ltd. (CN) 2014-03-19 — — EP disclosed