SCHEMBL31389409

SCHEMBL31389409

Cn1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.54
▸ BCL9 O00512 1/20 0.45
▸ CTNNB1 P35222 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ MGLL Q99685 2/20 0.41
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAOB P27338 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ PKM P14618 1/20 0.39
▸ SCN4A P35499 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL31389805 0.82 HTR2A (0.48) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL31389404 0.81 HTR2A (0.47) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL31389889 0.81 LMNA (0.46) GAALMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL31389539 0.80 HTR2A (0.46) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL31389808 0.79 HTR2A (0.45) HTR2ABCL9CTNNB1LMNAALDH1A1
SCHEMBL5827968 0.76 HTR2A (0.80) HTR2ABCL9CTNNB1GAAALDH1A1
SCHEMBL31389536 0.75 HTR2A (0.46) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL8223256 0.75 HTR2A (0.53) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL30740366 0.75 HTR2A (0.53) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL31389945 0.74 HTR2A (0.45) HTR2ABCL9CTNNB1GAAMGLL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025043225-A2 DEGRADERS OF CYCLIN-DEPENDENT KINASE 2 GENENTECH, INC. (US) 2025-02-27 — — WO disclosed
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