SCHEMBL25194875

SCHEMBL25194875

CCCCOC(=O)OC(=O)Nc1nc(Cl)nc(Cl)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.37
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
HPGD P15428 2/20 0.37
CYP2C9 P11712 1/20 0.37
EGFR P00533 3/20 0.35
KDR P35968 3/20 0.35
MAPT P10636 2/20 0.35
ATM Q13315 2/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.34
NFKB1 P19838 1/20 0.33
STAT1 P42224 1/20 0.33

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
SCHEMBL22502725 0.72 RAB9A (0.44) L3MBTL1TSHRLMNAALDH1A1NPSR1
SCHEMBL25265174 0.68 L3MBTL1 (0.33) L3MBTL1TSHRLMNAALDH1A1NPSR1
SCHEMBL30405281 0.67 FAAH (0.42) L3MBTL1TSHRLMNAALDH1A1NPSR1
SCHEMBL5491470 0.64 ATM (0.54) L3MBTL1TSHRALDH1A1NPSR1RAB9A
SCHEMBL2658161 0.64 L3MBTL1 (0.41) L3MBTL1TSHRLMNAALDH1A1NPSR1
SCHEMBL23143751 0.64 L3MBTL1 (0.46) L3MBTL1TSHRLMNAALDH1A1NPSR1
SCHEMBL2651522 0.64 L3MBTL1 (0.46) L3MBTL1TSHRLMNAALDH1A1NPSR1
SCHEMBL40274 0.64 ALDH1A1 (0.61) L3MBTL1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL4148707 0.64 ALDH1A1 (0.47) TSHRALDH1A1NPSR1SMN1; SMN2RAB9A
SCHEMBL28667866 0.64 ACHE (0.47) TSHRALDH1A1HPGDATM

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-2023086801-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2023-05-19 WO disclosed