SCHEMBL31628166

SCHEMBL31628166

COC(F)(C(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)CS2)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.36
▸ LMNA P02545 5/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HTT P42858 3/20 0.34
▸ MAPT P10636 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KDM4E B2RXH2 5/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NFKB1 P19838 1/20 0.32

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
SCHEMBL26962726 0.89 HDAC1 (0.39) HPGDLMNAALDH1A1KMT2AHDAC1
SCHEMBL29796820 0.89 HDAC1 (0.39) HPGDLMNAALDH1A1KMT2AHDAC1
SCHEMBL31628211 0.85 KMT2A (0.36) HPGDLMNAALDH1A1KMT2AHDAC1
SCHEMBL30830316 0.85 KMT2A (0.36) HPGDLMNAALDH1A1KMT2AHDAC1
SCHEMBL31375584 0.85 KMT2A (0.36) HPGDLMNAALDH1A1KMT2AHDAC1
SCHEMBL29796987 0.82 HPGD (0.41) HPGDLMNAALDH1A1KMT2AHDAC1
SCHEMBL26962078 0.82 HPGD (0.41) HPGDLMNAALDH1A1KMT2AHDAC1
SCHEMBL31375565 0.82 LMNA (0.54) HPGDLMNAALDH1A1KMT2AHDAC1
SCHEMBL20279961 0.82 LMNA (0.54) HPGDLMNAALDH1A1KMT2AHDAC1
SCHEMBL20264133 0.81 SMN1; SMN2 (0.48) HPGDLMNAALDH1A1KMT2AHDAC1

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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