SCHEMBL31076372

SCHEMBL31076372

CC(C)(C)OC(=O)N1CCOC(Cc2cccc(Cl)c2Br)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
EPHA2 P29317 4/20 0.43
MAPK8 P45983 1/20 0.42
ERBB2 P04626 1/20 0.42
EPHB4 P54760 1/20 0.42
STS P08842 2/20 0.41
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
P2RX7 Q99572 1/20 0.36
NR1H4 Q96RI1 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
SCHEMBL31076429 0.86 MAPT (0.46) MAPTEPHA2ERBB2EPHB4STS
SCHEMBL31076445 0.82 USP30 (0.42) MAPTEPHA2MAPK8ERBB2EPHB4
SCHEMBL31076338 0.82 RORC (0.43) MAPTMAPK8STSKEAP1NFE2L2
SCHEMBL1552545 0.82 KDM1A (0.41) MAPTEPHA2ERBB2EPHB4USP2
SCHEMBL27695185 0.82 KDM1A (0.41) MAPTEPHA2ERBB2EPHB4USP2
SCHEMBL31076423 0.81 EPHA2 (0.41) MAPTEPHA2ERBB2EPHB4STS
SCHEMBL31076418 0.81 EPHA2 (0.42) MAPTEPHA2ERBB2EPHB4STS
SCHEMBL31076468 0.81 USP30 (0.42) MAPTEPHA2ERBB2EPHB4MEN1
SCHEMBL31076390 0.81 EPHA2 (0.42) MAPTEPHA2MAPK8ERBB2EPHB4
SCHEMBL31076414 0.80 EPHA2 (0.41) MAPTEPHA2ERBB2EPHB4USP2

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