SCHEMBL30442001

SCHEMBL30442001

Cc1ccc2c(-c3ccc(Cl)cc3)nn(-c3ccc(OC(F)(F)F)cc3)c(=O)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.42
NPBWR1 P48145 2/20 0.41
MCHR1 Q99705 2/20 0.41
P2RY1 P47900 1/20 0.41
TDP2 O95551 1/20 0.40
MARS1 P56192 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DHODH Q02127 1/20 0.39
ABCB1 P08183 1/20 0.39
NR3C1 P04150 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
CYP3A4 P08684 2/20 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
SCHEMBL25187350 1.00 NPSR1 (0.44) NPSR1GAALMNATP53NPBWR1
SCHEMBL25479342 0.91 KDM4E (0.47) NPSR1GAATP53NPBWR1MCHR1
SCHEMBL25174338 0.86 LMNA (0.46) NPSR1GAALMNATP53NPBWR1
SCHEMBL25479257 0.82 NPSR1 (0.49) NPSR1GAALMNATP53NPBWR1
SCHEMBL25479890 0.81 ALDH1A1 (0.52) NPSR1GAALMNATP53NPBWR1
SCHEMBL9227950 0.80 NPSR1 (0.51) NPSR1GAALMNATP53NPBWR1
SCHEMBL25174337 0.77 KDM4E (0.46) NPSR1GAALMNATP53NPBWR1
SCHEMBL25479341 0.73 KDM4E (0.46) NPSR1GAALMNATP53NPBWR1
SCHEMBL9230980 0.72 NPSR1 (0.53) NPSR1GAALMNATP53NPBWR1
SCHEMBL9228112 0.72 NPSR1 (0.58) NPSR1GAALMNATP53NPBWR1

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-4429663-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS Vigil Neuroscience, Inc. (US) 2024-09-18 EP disclosed
WO-2023086799-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS VIGIL NEUROSCIENCE, INC. (US) 2023-05-19 WO disclosed