SCHEMBL31749568

SCHEMBL31749568

CCOC(=O)/C(=C(\N)c1cccc(Cl)c1)n1nnc2cc(Br)c(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.47
▸ MGAM O43451 4/20 0.47
▸ AMY1A P0DUB6 4/20 0.47
▸ SI P14410 4/20 0.47
▸ MGAM2 Q2M2H8 4/20 0.47
▸ XPO1 O14980 1/20 0.43
▸ ELANE P08246 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ POLB P06746 2/20 0.37
▸ HPGD P15428 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ PARP1 P09874 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL31749889 0.90 GAA (0.59) GAAMGAMAMY1ASIMGAM2
SCHEMBL31749467 0.87 MGAM (0.42) GAAMGAMAMY1ASIMGAM2
SCHEMBL31749736 0.87 ELANE (0.48) GAAMGAMAMY1ASIMGAM2
SCHEMBL31749573 0.80 MAPT (0.35) GAAMGAMAMY1ASIMGAM2
SCHEMBL31749808 0.79 MGAM (0.50) GAAMGAMAMY1ASIMGAM2
SCHEMBL31749531 0.77 MGAM (0.53) GAAMGAMAMY1ASIMGAM2
SCHEMBL31749811 0.76 MGAM (0.44) GAAMGAMAMY1ASIMGAM2
SCHEMBL31749637 0.75 MGAM (0.50) GAAMGAMAMY1ASIMGAM2
SCHEMBL31749631 0.75 MGAM (0.45) GAAMGAMAMY1ASIMGAM2
SCHEMBL11631222 0.71 PARP1 (0.51) GAAXPO1ELANESMN1; SMN2LMNA

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-2025264724-A1 MPRO INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-12-26 — — WO disclosed
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