SCHEMBL31628162

SCHEMBL31628162

NC(=O)O[C@H]1CSc2ccc(/C(N)=N/O)cc2NC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.39
▸ LMNA P02545 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ POLB P06746 4/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ATM Q13315 1/20 0.31

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
SCHEMBL30830338 0.82 — —
SCHEMBL31628254 0.78 HDAC1 (0.40) HTTLMNAALDH1A1HDAC1HDAC8
SCHEMBL30830296 0.78 HSD17B10 (0.42) HTTALDH1A1POLBSMN1; SMN2TDP1
SCHEMBL31628137 0.75 LMNA (0.38) HTTLMNAALDH1A1HDAC1HDAC8
SCHEMBL31375481 0.75 LMNA (0.38) HTTLMNAALDH1A1HDAC1HDAC8
SCHEMBL31628212 0.75 NOX1 (0.35) SMN1; SMN2KMT2AMEN1GAAMAPT
SCHEMBL31628262 0.74 HDAC1 (0.37) HTTLMNAALDH1A1HDAC1HDAC8
SCHEMBL30830352 0.74 HDAC1 (0.37) HTTLMNAALDH1A1HDAC1HDAC8
SCHEMBL31628202 0.74 HDAC1 (0.35) HTTLMNAALDH1A1HDAC1HDAC8
SCHEMBL31628288 0.72 KDM4E (0.33) SMN1; SMN2HSD17B10KMT2ANPC1RAB9A

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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