SCHEMBL3122075

SCHEMBL3122075

O=c1ncn(CO)c2nccnc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 7/20 0.36
▸ ADORA2A P29274 3/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ PNP P00491 1/20 0.32
▸ FDPS P14324 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ TK1 P04183 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE1A P54750 1/20 0.31
▸ PDE1B Q01064 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ PDE1C Q14123 1/20 0.31
▸ AHCY P23526 4/20 0.30

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
SCHEMBL19153111 0.71 ADORA1 (0.41) ADORA2AADORA1ADORA2BPDE4APDE4B
SCHEMBL28278181 0.68 KDM4E (0.37) LMNA
SCHEMBL28275704 0.64 ALDH1A1 (0.48) HPRT1PNP
SCHEMBL1871838 0.63 ADORA2A (0.75) ADORA2AADORA1ADORA2BAHCY
SCHEMBL13397350 0.61 TK1 (0.72) HPRT1PNPLMNATK1
SCHEMBL29005408 0.59 DAO (0.32) —
SCHEMBL29249152 0.59 — —
SCHEMBL18033549 0.58 HSD17B10 (0.36) FDPSLMNAADORA2B
SCHEMBL9936014 0.57 FDPS (0.62) ADORA2AADORA1FDPSLMNAAHCY
SCHEMBL5481067 0.56 FSCN1 (0.49) LMNA

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
US-20100009927-A1 Anti-Inflammatory and Anti-Allergy Extracts from Nettle HERBALSCIENCE GROUP LLC (US) 2010-01-14 — — US disclosed
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