SCHEMBL30456084

SCHEMBL30456084

CCS(=O)(=O)N[C@H]1CC[C@H](CNc2ccc(CN3CCC4(CC3)CCN(c3ncnc5ccc(CC(F)(F)F)cc35)CC4)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 13/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ DRD2 P14416 3/20 0.38
▸ HTR2A P28223 3/20 0.38
▸ DRD3 P35462 3/20 0.38
▸ KMT2A Q03164 5/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ KIT P10721 2/20 0.36
▸ EGFR P00533 1/20 0.35
▸ KDR P35968 1/20 0.35

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
SCHEMBL25223159 1.00 MEN1 (0.40) MEN1CNR1DRD2HTR2ADRD3
SCHEMBL25272420 1.00 MEN1 (0.40) MEN1CNR1DRD2HTR2ADRD3
SCHEMBL31501631 0.95 MEN1 (0.43) MEN1CNR1DRD2HTR2ADRD3
SCHEMBL30405361 0.88 MEN1 (0.45) MEN1CNR1DRD2HTR2ADRD3
SCHEMBL31501637 0.88 MEN1 (0.45) MEN1CNR1DRD2HTR2ADRD3
SCHEMBL25277615 0.88 MEN1 (0.45) MEN1CNR1DRD2HTR2ADRD3
SCHEMBL25277616 0.88 MEN1 (0.45) MEN1CNR1DRD2HTR2ADRD3
SCHEMBL30456045 0.86 MEN1 (0.46) MEN1KMT2AEGFRKDR
SCHEMBL25271281 0.86 MEN1 (0.46) MEN1KMT2AEGFRKDR
SCHEMBL25227044 0.83 MEN1 (0.51) MEN1CNR1DRD2HTR2ADRD3

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-4444313-A1 INHIBITORS OF MENIN-MLL INTERACTION Bala Therapeutics, Inc. (US) 2024-10-16 — — EP disclosed
WO-2023107687-A1 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. (US) 2023-06-15 — — WO disclosed
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