SCHEMBL31487689

SCHEMBL31487689

COC(=O)c1ncn(Cc2cccc(C(=O)OC(C)(C)C)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.46
▸ CD74 P04233 1/20 0.46
▸ MIF P14174 1/20 0.46
▸ HDAC1 Q13547 3/20 0.46
▸ HDAC6 Q9UBN7 3/20 0.46
▸ ABHD6 Q9BV23 1/20 0.45
▸ IDO1 P14902 1/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ CYP4F2 P78329 2/20 0.42
▸ CYP4A11 Q02928 2/20 0.42
▸ YTHDC1 Q96MU7 1/20 0.42
▸ MAPK10 P53779 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MRGPRX4 Q96LA9 4/20 0.41

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
SCHEMBL31487542 0.89 CYP4F2 (0.46) SLC7A5CD74MIFABHD6IDO1
SCHEMBL31487746 0.83 SLC7A5 (0.47) SLC7A5CD74MIFHDAC1HDAC6
SCHEMBL18366896 0.80 L3MBTL1 (0.47) HDAC1HDAC6CYP4F2CYP4A11TSHR
SCHEMBL30587560 0.80 HDAC1 (0.48) HDAC1HDAC6SMN1; SMN2
SCHEMBL30587599 0.80 L3MBTL1 (0.47) HDAC1HDAC6CYP4F2CYP4A11TSHR
SCHEMBL18366875 0.80 HDAC1 (0.48) HDAC1HDAC6SMN1; SMN2
SCHEMBL1414421 0.79 KLKB1 (0.50) HDAC1HDAC6SMN1; SMN2
SCHEMBL30730090 0.79 CD74 (0.54) SLC7A5CD74MIFABHD6LOXL2
SCHEMBL2360321 0.78 LOXL2 (0.55) SLC7A5CD74MIFHDAC1HDAC6
SCHEMBL29415736 0.77 RIPK1 (0.52) YTHDC1MRGPRX4

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-2025058977-A1 MODULATORS OF CORONAVIRUS 3C-LIKE PROTEASE AND USES THEREOF Vir Biotechnology, Inc. (US) 2025-03-20 — — WO disclosed
Send feedback