SCHEMBL31076289

SCHEMBL31076289

CC(C)(C)OC(=O)N1CC(Cc2ccc(Br)c(Cl)c2)OCC12CC2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.35
ERBB2 P04626 1/20 0.35
EPHA2 P29317 1/20 0.35
KDR P35968 1/20 0.35
EPHB4 P54760 1/20 0.35
OPRK1 P41145 1/20 0.34
PARP1 P09874 2/20 0.33
PARP2 Q9UGN5 2/20 0.33
P4HB P07237 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
RHEB Q15382 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31

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 0.80 MEN1 (0.41) MAPK8ERBB2EPHA2EPHB4OPRK1
SCHEMBL31076409 0.77 RORC (0.39) MAPK8OPRK1KMT2AMEN1SMN1; SMN2
SCHEMBL31076404 0.75 EPHA2 (0.45) MAPK8ERBB2EPHA2EPHB4OPRK1
SCHEMBL28506487 0.74 NR1H2 (0.41) ERBB2EPHA2KDREPHB4SMN1; SMN2
SCHEMBL19341344 0.74 CYP3A4 (0.36) ERBB2EPHA2KDREPHB4MAPT
SCHEMBL28506488 0.74 NR1H2 (0.41) ERBB2EPHA2KDREPHB4SMN1; SMN2
SCHEMBL27153718 0.74 ERBB2 (0.32) ERBB2EPHA2KDREPHB4KMT2A
SCHEMBL1552945 0.70 EPHA2 (0.44) ERBB2EPHA2EPHB4OPRK1PARP1
SCHEMBL31076483 0.70 EPHA2 (0.44) ERBB2EPHA2EPHB4OPRK1PARP1
SCHEMBL1551919 0.70 EPHA2 (0.44) ERBB2EPHA2EPHB4OPRK1PARP1

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