SCHEMBL31749631

SCHEMBL31749631

CCOC(=O)/C(=C(\N)c1ccc(F)c(Cl)c1)n1nnc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 10/20 0.45
▸ AMY1A P0DUB6 10/20 0.45
▸ GAA P10253 10/20 0.45
▸ SI P14410 10/20 0.45
▸ MGAM2 Q2M2H8 10/20 0.45
▸ F12 P00748 4/20 0.45
▸ GLA P06280 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ AGTR1 P30556 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL31749637 0.91 MGAM (0.50) MGAMAMY1AGAASIMGAM2
SCHEMBL31749736 0.87 ELANE (0.48) MGAMAMY1AGAASIMGAM2
SCHEMBL31749929 0.86 MGAM (0.45) MGAMAMY1AGAASIMGAM2
SCHEMBL31749811 0.83 MGAM (0.44) MGAMAMY1AGAASIMGAM2
SCHEMBL31749538 0.82 MGAM (0.42) MGAMAMY1AGAASIMGAM2
SCHEMBL31749808 0.81 MGAM (0.50) MGAMAMY1AGAASIMGAM2
SCHEMBL31749654 0.81 KMT2A (0.41) MGAMAMY1AGAASIMGAM2
SCHEMBL31749531 0.79 MGAM (0.53) MGAMAMY1AGAASIMGAM2
SCHEMBL31749889 0.78 GAA (0.59) MGAMAMY1AGAASIMGAM2
SCHEMBL31749667 0.78 GAA (0.46) 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
Send feedback