SCHEMBL27628533

SCHEMBL27628533

Nc1nc(=O)c2[nH]c(=O)cnc2n1O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4A O75164 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ PNP P00491 6/20 0.37
▸ LMNA P02545 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ MAPKAPK2 P49137 1/20 0.32
▸ RPS6KA3 P51812 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ PLK3 Q9H4B4 1/20 0.32

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
SCHEMBL29005408 0.66 DAO (0.32) —
Xanthopterin SCHEMBL906221 0.66 ALDH1A1 (0.54) KDM4EALDH1A1MAPTHSD17B10MEN1
Xanthopterin SCHEMBL2489021 0.65 ALDH1A1 (0.53) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL16494562 0.60 PNP (0.35) PNP
Xanthopterin SCHEMBL906219 0.59 KDM4E (1.00) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL28633086 0.58 PNP (0.52) ALDH1A1MAPTPNPLMNA
Xanthopterin SCHEMBL6475881 0.58 KDM4E (0.96) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL48434 0.58 ATAD2 (0.54) MAPTPNPLMNA
SCHEMBL29202432 0.56 PNP (0.50) ALDH1A1MAPTPNPLMNA
SCHEMBL29015263 0.55 ADORA2A (0.61) HSD17B10HPGDPNP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100393822-C Silyl esters, their use in binder systems and paint compositions and a process of production thereof SIGMAKALON B V (NL) 2008-06-11 — — CN disclosed
CN-1784478-A Silyl esters, their use in binder systems and coating compositions and process for their production SIGMAKALON B V (NL) 2006-06-07 — — CN disclosed
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