SCHEMBL31487676

SCHEMBL31487676

CC(C)(C)OC(=O)c1cccc(Cn2ncnc2CO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.47
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ ABHD6 Q9BV23 1/20 0.41
▸ MAPK10 P53779 1/20 0.40
▸ CYP4F2 P78329 3/20 0.38
▸ CYP4A11 Q02928 3/20 0.38
▸ TP53 P04637 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ CD74 P04233 1/20 0.35
▸ MIF P14174 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL31487682 0.89 SLC7A5 (0.46) SLC7A5HDAC1HDAC6ABHD6MAPK10
SCHEMBL31487722 0.83 ABHD6 (0.47) SLC7A5HDAC1HDAC6ABHD6MAPK10
SCHEMBL3499880 0.77 SLC7A5 (0.63) SLC7A5CYP4F2CYP4A11TP53LOXL2
SCHEMBL29549852 0.75 SLC7A5 (0.50) SLC7A5HDAC1HDAC6ABHD6MAPK10
SCHEMBL31487746 0.75 SLC7A5 (0.47) SLC7A5HDAC1HDAC6ABHD6CYP4F2
SCHEMBL31487511 0.75 CYP4F2 (0.46) SLC7A5HDAC1HDAC6ABHD6MAPK10
SCHEMBL12301533 0.73 SLC7A5 (0.65) SLC7A5CYP4F2CYP4A11TP53LOXL2
SCHEMBL31487557 0.72 CYP4F2 (0.69) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4
SCHEMBL7505386 0.72 CYP4F2 (0.69) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4
SCHEMBL7384982 0.72 SLC7A5 (0.63) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4

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
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