SCHEMBL31076392

SCHEMBL31076392

CC(C)(C)OC(=O)N1CCCOC(Cc2ccc(Br)c(Cl)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
EPHA2 P29317 4/20 0.40
ERBB2 P04626 1/20 0.40
EPHB4 P54760 1/20 0.40
PARP1 P09874 2/20 0.39
PARP2 Q9UGN5 2/20 0.39
MAPK8 P45983 1/20 0.39
OPRK1 P41145 1/20 0.38
USP30 Q70CQ3 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
NR1D1 P20393 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL31076404 0.87 EPHA2 (0.45) MEN1KMT2AEPHA2ERBB2EPHB4
SCHEMBL1552945 0.82 EPHA2 (0.44) MEN1KMT2AEPHA2ERBB2EPHB4
SCHEMBL1551919 0.82 EPHA2 (0.44) MEN1KMT2AEPHA2ERBB2EPHB4
SCHEMBL31076483 0.82 EPHA2 (0.44) MEN1KMT2AEPHA2ERBB2EPHB4
SCHEMBL1553137 0.82 EPHA2 (0.44) EPHA2ERBB2EPHB4PARP1PARP2
SCHEMBL5222897 0.82 EPHA2 (0.44) MEN1KMT2AEPHA2ERBB2EPHB4
SCHEMBL1553166 0.82 EPHA2 (0.44) EPHA2ERBB2EPHB4PARP1PARP2
SCHEMBL31076409 0.81 RORC (0.39) MEN1KMT2AMAPK8OPRK1NR1D1
SCHEMBL31076358 0.81 EPHA2 (0.41) MEN1KMT2AEPHA2ERBB2EPHB4
SCHEMBL31076359 0.81 EPHA2 (0.51) EPHA2ERBB2EPHB4DRD4

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