SCHEMBL31375494

SCHEMBL31375494

CC(C)(C)OC(=O)N[C@H]1CSc2ccc(C(=O)NNC(=O)C3(C#N)CCN(C(=O)OCc4ccccc4)CC3)cc2NC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM1A O60341 2/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ ENPP2 Q13822 3/20 0.34
▸ ATXN2 Q99700 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HDAC1 Q13547 3/20 0.34
▸ HDAC6 Q9UBN7 3/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ SRC P12931 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ HDAC3 O15379 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
SCHEMBL31628311 1.00 MEN1 (0.35) MEN1KMT2AKDM1APDE4BENPP2
SCHEMBL31375523 0.87 KMT2A (0.36) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL31375588 0.85 USP30 (0.35) KDM1APDE4BENPP2ATXN2HTT
SCHEMBL31628135 0.85 USP30 (0.35) KDM1APDE4BENPP2ATXN2HTT
SCHEMBL31375581 0.80 TRPC3 (0.34) MEN1KMT2APDE4BENPP2ATXN2
SCHEMBL31628115 0.80 TRPC3 (0.34) MEN1KMT2APDE4BENPP2ATXN2
SCHEMBL31628244 0.77 NAAA (0.40) HPGDSMN1; SMN2HDAC1HDAC6HDAC8
SCHEMBL31375556 0.77 NAAA (0.40) HPGDSMN1; SMN2HDAC1HDAC6HDAC8
SCHEMBL31375584 0.76 KMT2A (0.36) KMT2AHTTALDH1A1MAPTNPSR1
SCHEMBL31628211 0.76 KMT2A (0.36) KMT2AHTTALDH1A1MAPTNPSR1

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
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