SCHEMBL31749811

SCHEMBL31749811

CCOC(=O)/C(=C(\N)c1ccc(Cl)c(Cl)c1)n1nnc2cc(F)c(F)cc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 8/20 0.44
▸ AMY1A P0DUB6 8/20 0.44
▸ GAA P10253 8/20 0.44
▸ SI P14410 8/20 0.44
▸ MGAM2 Q2M2H8 8/20 0.44
▸ ALDH1A1 P00352 1/20 0.37
▸ AGTR1 P30556 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NAMPT P43490 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ TEAD2 Q15562 1/20 0.34
▸ XPO1 O14980 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ POLB P06746 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
SCHEMBL31749808 0.92 MGAM (0.50) MGAMAMY1AGAASIMGAM2
SCHEMBL31749531 0.90 MGAM (0.53) MGAMAMY1AGAASIMGAM2
SCHEMBL31749893 0.90 MGAM (0.37) MGAMAMY1AGAASIMGAM2
SCHEMBL31749467 0.88 MGAM (0.42) MGAMAMY1AGAASIMGAM2
SCHEMBL31749571 0.87 TDP1 (0.39) MGAMAMY1AGAASIMGAM2
SCHEMBL31749637 0.86 MGAM (0.50) MGAMAMY1AGAASIMGAM2
SCHEMBL31749540 0.84 MGAM (0.33) MGAMAMY1AGAASIMGAM2
SCHEMBL31749631 0.83 MGAM (0.45) MGAMAMY1AGAASIMGAM2
SCHEMBL31749889 0.81 GAA (0.59) MGAMAMY1AGAASIMGAM2
SCHEMBL31749809 0.81 GAA (0.34) MGAMAMY1AGAASIMGAM2

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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