SCHEMBL31076409

SCHEMBL31076409

CC(C)(C)OC(=O)N1CC(Cc2ccc(Br)c(Cl)c2)OC(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.39
MAPK8 P45983 1/20 0.37
NR1D1 P20393 2/20 0.35
GNRHR P30968 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NR1H2 P55055 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
OPRK1 P41145 1/20 0.34
CNR1 P21554 1/20 0.34
VEGFA P15692 1/20 0.33
EGLN1 Q9GZT9 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
SCHEMBL31076392 0.81 MEN1 (0.41) MAPK8NR1D1MEN1KMT2AOPRK1
SCHEMBL31076338 0.80 RORC (0.43) RORCMAPK8NR1H2
SCHEMBL31076289 0.77 MAPK8 (0.35) MAPK8MEN1KMT2ASMN1; SMN2OPRK1
SCHEMBL31076404 0.76 EPHA2 (0.45) MAPK8NR1D1MEN1KMT2ASMN1; SMN2
SCHEMBL21803365 0.74 STS (0.35) RORCGNRHRMEN1KMT2ANR1H2
SCHEMBL24438534 0.73 NR1H2 (0.48) RORCMEN1KMT2ANR1H2SMN1; SMN2
SCHEMBL12526132 0.73 NR1H2 (0.48) RORCMEN1KMT2ANR1H2SMN1; SMN2
SCHEMBL29126202 0.73 NR1H2 (0.48) RORCMEN1KMT2ANR1H2SMN1; SMN2
SCHEMBL28484617 0.72 NR1H2 (0.40) RORCMEN1KMT2ANR1H2SMN1; SMN2
SCHEMBL28476213 0.72 NR1H2 (0.40) RORCMEN1KMT2ANR1H2SMN1; SMN2

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