SCHEMBL1740456

SCHEMBL1740456

Nc1nc2[nH]cnc2c(=O)n1C(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PNP P00491 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ POLB P06746 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ IP6K1 Q92551 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ LMNA P02545 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
SCHEMBL5694185 0.81 NPC1 (0.51) PNPMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL1740468 0.81 PNP (0.40) ALDH1A1TSHRPNPCYP1A2LMNA
SCHEMBL22319174 0.80 ADORA1 (0.34) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL6821768 0.77 GDA (0.39) PNPMEN1KMT2APOLBKDM4E
SCHEMBL5694071 0.76 KMT2A (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL218666 0.76 GDA (0.34) PNPCYP1A2PDE4APDE4BPDE4C
SCHEMBL30274779 0.76 ALDH1A1 (0.39) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL453202 0.76 GDA (0.32) —
SCHEMBL8583444 0.75 KMT2A (0.42) PNPMEN1KMT2AKDM4ETDP1
Bromide SCHEMBL8165610 0.75 GDA (0.33) PNPCYP1A2PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2399588-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase Merck Sharp & Dohme Corp. (US) 2011-12-28 — — EP disclosed
EP-2360166-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase Merck Sharp & Dohme Corp. (US) 2011-08-24 — — EP disclosed
EP-1539188-A2 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE Merck & Co., Inc. (US) 2005-06-15 — — EP disclosed
WO-2002057425-A2 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE MERCK & CO., INC. (US) 2002-07-25 — — WO disclosed
EP-0648220-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA, Jyoti (SE) 1995-04-19 — — EP disclosed
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