SCHEMBL31076508

SCHEMBL31076508

CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(OC[C@@H]2CCCOC2)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HRH3 Q9Y5N1 5/20 0.37
MEN1 O00255 1/20 0.33
PDPK1 O15530 1/20 0.32
SUV39H2 Q9H5I1 1/20 0.32
GRM4 Q14833 2/20 0.32
UTS2R Q9UKP6 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ATXN2 Q99700 1/20 0.31
ACACB O00763 1/20 0.31
PDE4B Q07343 1/20 0.30

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
SCHEMBL31076278 0.79 KMT2A (0.48) KMT2AL3MBTL1MEN1SLC6A4SLC6A3
SCHEMBL31076346 0.79 KMT2A (0.49) KMT2AL3MBTL1MEN1SLC6A4SLC6A3
SCHEMBL31076459 0.72 KMT2A (0.44) KMT2AL3MBTL1MEN1SLC6A4SLC6A3
SCHEMBL24976021 0.72 L3MBTL1 (0.53) KMT2AL3MBTL1MEN1SLC6A4
SCHEMBL24977220 0.72 L3MBTL1 (0.53) KMT2AL3MBTL1MEN1SLC6A4
SCHEMBL24975769 0.72 L3MBTL1 (0.53) KMT2AL3MBTL1MEN1SLC6A4
SCHEMBL31076450 0.70 KMT2A (0.44) KMT2AL3MBTL1MEN1
SCHEMBL31076412 0.69 CYP2D6 (0.43) KMT2AL3MBTL1
SCHEMBL31614204 0.68 KMT2A (0.39) KMT2AL3MBTL1HRH3SUV39H2
SCHEMBL31076435 0.67 KMT2A (0.47) KMT2AL3MBTL1SLC6A3

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-4642778-A1 LSD1 MODULATORS Recursion Pharmaceuticals, Inc. (US) 2025-11-05 EP disclosed
WO-2024141757-A1 LSD1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2024-07-04 WO disclosed