SCHEMBL31375598

SCHEMBL31375598

CC(C)(C)OC(=O)N[C@H]1CSc2ccc(C(=O)NNC(=O)C3(NC(=O)OC(C)(C)C)CCCCC3)cc2NC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.37
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ LMNA P02545 4/20 0.35
▸ HPGD P15428 1/20 0.34
▸ CASP1 P29466 3/20 0.33
▸ CASP8 Q14790 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ NPC1 O15118 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
SCHEMBL31628071 1.00 KMT2A (0.37) KMT2AHDAC1HDAC8HDAC6LMNA
SCHEMBL31375523 0.85 KMT2A (0.36) KMT2AHDAC1HDAC8HDAC6LMNA
SCHEMBL26962726 0.84 HDAC1 (0.39) KMT2AHDAC1HDAC8HDAC6LMNA
SCHEMBL29796820 0.84 HDAC1 (0.39) KMT2AHDAC1HDAC8HDAC6LMNA
SCHEMBL26962078 0.81 HPGD (0.41) KMT2AHDAC1HDAC8HDAC6LMNA
SCHEMBL29796987 0.81 HPGD (0.41) KMT2AHDAC1HDAC8HDAC6LMNA
SCHEMBL31628211 0.81 KMT2A (0.36) KMT2AHDAC1HDAC8HDAC6LMNA
SCHEMBL31375584 0.81 KMT2A (0.36) KMT2AHDAC1HDAC8HDAC6LMNA
SCHEMBL30830316 0.81 KMT2A (0.36) KMT2AHDAC1HDAC8HDAC6LMNA
SCHEMBL20264133 0.80 SMN1; SMN2 (0.48) KMT2AHDAC1HDAC8HDAC6LMNA

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
CN-119677733-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-03-21 — — CN disclosed
Send feedback