SCHEMBL29946706

SCHEMBL29946706

CC(C)N(CC(F)(F)F)C(=O)c1cc(F)ccc1Oc1cncnc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.39
KMT2A Q03164 8/20 0.39
KCNH2 Q12809 2/20 0.39
GRM5 P41594 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 1/20 0.35
GPBAR1 Q8TDU6 4/20 0.34
SCN8A Q9UQD0 3/20 0.34
SCN10A Q9Y5Y9 3/20 0.34

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
SCHEMBL24981612 1.00 MEN1 (0.39) MEN1KMT2AKCNH2GRM5CYP1A2
SCHEMBL19693650 0.88 MEN1 (0.46) MEN1KMT2AKCNH2GRM5CYP1A2
SCHEMBL29946701 0.85 KMT2A (0.34) MEN1KMT2AKCNH2GPBAR1SCN8A
SCHEMBL24981756 0.85 KMT2A (0.42) MEN1KMT2AKCNH2GPBAR1
SCHEMBL19693483 0.83 MEN1 (0.48) MEN1KMT2AKCNH2GRM5CYP1A2
SCHEMBL29519417 0.83 MEN1 (0.48) MEN1KMT2AKCNH2GRM5CYP1A2
SCHEMBL19694116 0.82 MEN1 (0.40) MEN1KMT2AKCNH2GRM5CYP1A2
SCHEMBL29519411 0.82 MEN1 (0.40) MEN1KMT2AKCNH2GRM5CYP1A2
SCHEMBL24981617 0.82 KDM4E (0.39) GPBAR1
SCHEMBL30121339 0.81 MEN1 (0.44) MEN1KMT2AKCNH2SCN8ASCN10A

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-4337203-A1 INHIBITORS OF THE MENIN-MLL INTERACTION Syndax Pharmaceuticals, Inc. (US) 2024-03-20 EP disclosed
WO-2022241265-A1 INHIBITORS OF THE MENIN-MLL INTERACTION SYNDAX PHARMACEUTICALS, INC. (US) 2022-11-17 WO disclosed