SCHEMBL30749235

SCHEMBL30749235

CCOC(=O)c1[nH]ccc1NCc1ccccc1C1CCC(C(F)(F)F)CN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ KCNH2 Q12809 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ TBXAS1 P24557 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ GPR119 Q8TDV5 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
SCHEMBL27224133 1.00 MEN1 (0.39) MEN1KMT2ALMNAALDH1A1TP53
SCHEMBL27224144 0.90 GAA (0.33) MEN1KMT2ALMNAALDH1A1ADORA3
SCHEMBL30749239 0.87 KMT2A (0.47) MEN1KMT2ALMNAALDH1A1TP53
SCHEMBL27223426 0.87 KMT2A (0.47) MEN1KMT2ALMNAALDH1A1TP53
SCHEMBL30749254 0.86 KMT2A (0.46) MEN1KMT2ALMNAALDH1A1TP53
SCHEMBL27224042 0.86 KMT2A (0.46) MEN1KMT2ALMNAALDH1A1TP53
SCHEMBL31556733 0.82 MEN1 (0.40) MEN1KMT2ALMNAALDH1A1TP53
SCHEMBL30749240 0.82 MEN1 (0.40) MEN1KMT2ALMNAALDH1A1TP53
SCHEMBL27223567 0.81 ATM (0.38) MEN1KMT2AGPR119ALOX15MAPT
SCHEMBL30749339 0.80 JAK2 (0.43) MEN1KMT2ALMNAALDH1A1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4573096-A1 INHIBITORS OF MYELOPEROXIDASE Astrazeneca AB (SE) 2025-06-25 — — EP disclosed
WO-2024038131-A1 INHIBITORS OF MYELOPEROXIDASE ASTRAZENECA AB (SE) 2024-02-22 — — WO disclosed
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