SCHEMBL31063282

SCHEMBL31063282

CCOC(=O)CN(C(=O)OC(C)(C)C)c1nc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
THRB P10828 1/20 0.36
MAPK1 P28482 3/20 0.36
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36
MERTK Q12866 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GSR P00390 1/20 0.35
TXNRD1 Q16881 1/20 0.35
GAA P10253 1/20 0.35
P2RX3 P56373 1/20 0.35

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
SCHEMBL31063291 0.82 P2RX3 (0.36) MAPK1LMNAL3MBTL1HTTKMT2A
SCHEMBL29241492 0.80 MAPT (0.46) MAPTMAPK1LMNAL3MBTL1MEN1
SCHEMBL3768551 0.80 MAPT (0.42) MAPTLMNAL3MBTL1HTTKMT2A
SCHEMBL1736929 0.79 NR1D1 (0.43) MAPTLMNAL3MBTL1HTTMEN1
SCHEMBL10697671 0.77 MAPT (0.44) MAPTTHRBLMNAL3MBTL1HTT
SCHEMBL2322127 0.74 KMT2A (0.45) MAPTTHRBMAPK1LMNAL3MBTL1
SCHEMBL9710379 0.74 MAPT (0.40) MAPTMAPK1LMNAL3MBTL1MEN1
SCHEMBL3961361 0.73 KMT2A (0.44) MAPTTHRBMAPK1LMNAL3MBTL1
SCHEMBL6646943 0.73 MAPT (0.45) MAPTMAPK1LMNAL3MBTL1HTT
SCHEMBL23013993 0.72 NR1D1 (0.35) MAPTTHRBMAPK1LMNAL3MBTL1

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-4665339-A1 INHIBITING ALPHA V BETA 8 INTEGRIN Morphic Therapeutic, Inc. (US) 2025-12-24 EP disclosed
WO-2024173570-A1 INHIBITING αvβ8 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2024-08-22 WO disclosed