SCHEMBL30955784

SCHEMBL30955784

O=CC[C@H]1CC[C@H](n2cc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.33
ACHE P22303 3/20 0.33
F2 P00734 2/20 0.33
PLAU P00749 2/20 0.33
ELANE P08246 2/20 0.33
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SIGMAR1 Q99720 2/20 0.30
DRD4 P21917 1/20 0.30
GABRA1 P14867 1/20 0.30

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
SCHEMBL174612 0.85 F2 (0.41) L3MBTL1MEN1KMT2AALDH1A1ACHE
SCHEMBL30955773 0.83 L3MBTL1 (0.39) L3MBTL1MEN1KMT2AALDH1A1ACHE
SCHEMBL1558028 0.80 SIGMAR1 (0.40) L3MBTL1MEN1KMT2AALDH1A1ACHE
SCHEMBL30955814 0.80 L3MBTL1 (0.34) L3MBTL1MEN1KMT2AALDH1A1ACHE
SCHEMBL22648279 0.80 SIGMAR1 (0.47) L3MBTL1MEN1KMT2AALDH1A1ACHE
SCHEMBL16975385 0.79 ACHE (0.45) L3MBTL1KMT2AALDH1A1ACHEF2
SCHEMBL16974776 0.79 ACHE (0.42) L3MBTL1ALDH1A1ACHEF2PLAU
SCHEMBL17199450 0.79 F2 (0.39) L3MBTL1ALDH1A1ACHEF2PLAU
SCHEMBL18761846 0.79 F2 (0.39) L3MBTL1ALDH1A1ACHEF2PLAU
SCHEMBL17199452 0.79 F2 (0.39) L3MBTL1ALDH1A1ACHEF2PLAU

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-4638454-A1 SUBSTITUTED IMIDAZO-BASED COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK3 Celgene Corporation (US) 2025-10-29 EP disclosed
WO-2024137743-A1 SUBSTITUTED IMIDAZO-BASED COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK3 CELGENE CORPORATION (US) 2024-06-27 WO disclosed