SCHEMBL31628262

SCHEMBL31628262

CC(C)(C#N)C(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@@H](OC(N)=O)CS2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HPGD P15428 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ RAB9A P51151 6/20 0.35
▸ NPC1 O15118 5/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ POLB P06746 3/20 0.33
▸ ATM Q13315 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL31628254 0.90 HDAC1 (0.40) HDAC1HDAC8HDAC6HPGDLMNA
SCHEMBL30830352 0.86 HDAC1 (0.37) HDAC1HDAC8HDAC6HPGDLMNA
SCHEMBL31628151 0.85 — —
SCHEMBL31628202 0.81 HDAC1 (0.35) HDAC1HDAC8HDAC6HPGDLMNA
SCHEMBL31628211 0.81 KMT2A (0.36) HDAC1HDAC8HDAC6HPGDLMNA
SCHEMBL31375584 0.81 KMT2A (0.36) HDAC1HDAC8HDAC6HPGDLMNA
SCHEMBL31628162 0.74 HTT (0.39) HDAC1HDAC8HDAC6HPGDLMNA
SCHEMBL31628285 0.74 — —
SCHEMBL29796820 0.70 HDAC1 (0.39) HDAC1HDAC8HDAC6HPGDLMNA
SCHEMBL30830296 0.69 HSD17B10 (0.42) HPGDALDH1A1RAB9ANPC1KMT2A

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-4568959-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 — — EP disclosed
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