SCHEMBL31076404

SCHEMBL31076404

CC(C)(C)OC(=O)N1CCOC(Cc2ccc(Cl)c(Br)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 4/20 0.45
ERBB2 P04626 1/20 0.45
EPHB4 P54760 1/20 0.45
MAPK8 P45983 1/20 0.40
OPRK1 P41145 1/20 0.38
USP30 Q70CQ3 1/20 0.38
PARP1 P09874 2/20 0.38
PARP2 Q9UGN5 2/20 0.38
KDM1A O60341 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR1D1 P20393 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL1553137 0.89 EPHA2 (0.44) EPHA2ERBB2EPHB4USP30PARP1
SCHEMBL1553166 0.89 EPHA2 (0.44) EPHA2ERBB2EPHB4USP30PARP1
SCHEMBL1552945 0.88 EPHA2 (0.44) EPHA2ERBB2EPHB4OPRK1USP30
SCHEMBL31076483 0.88 EPHA2 (0.44) EPHA2ERBB2EPHB4OPRK1USP30
SCHEMBL1551919 0.88 EPHA2 (0.44) EPHA2ERBB2EPHB4OPRK1USP30
SCHEMBL1552682 0.87 EPHA2 (0.50) EPHA2ERBB2EPHB4USP30KMT2A
SCHEMBL1552680 0.87 EPHA2 (0.50) EPHA2ERBB2EPHB4USP30KMT2A
SCHEMBL31076392 0.87 MEN1 (0.41) EPHA2ERBB2EPHB4MAPK8OPRK1
SCHEMBL5222897 0.87 EPHA2 (0.44) EPHA2ERBB2EPHB4OPRK1USP30
SCHEMBL31076359 0.86 EPHA2 (0.51) EPHA2ERBB2EPHB4

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