SCHEMBL13729773

SCHEMBL13729773

CCCc1cnc(N2CCCC2)nc1C(=O)N=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ POLB P06746 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LMNA P02545 2/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 3/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ PTPN11 Q06124 1/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33

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
SCHEMBL13729778 0.74 ALDH1A1 (0.35) ALDH1A1POLBSMN1; SMN2LMNACASP1
SCHEMBL25689654 0.68 ALDH1A1 (0.66) ALDH1A1POLBSMN1; SMN2LMNACASP1
SCHEMBL9946220 0.66 KDM4E (0.64) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL3187881 0.66 KDM4E (0.31) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL4820737 0.65 ALDH1A1 (0.97) ALDH1A1POLBSMN1; SMN2LMNACASP1
SCHEMBL4812899 0.65 ALDH1A1 (0.97) ALDH1A1POLBSMN1; SMN2LMNACASP1
SCHEMBL25689688 0.64 ALDH1A1 (0.63) ALDH1A1POLBSMN1; SMN2LMNAMEN1
SCHEMBL30708890 0.61 NR1H2 (0.53) ALDH1A1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL26969841 0.61 NR1H2 (0.53) ALDH1A1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL27903086 0.61 GBA1 (0.43) ALDH1A1POLBSMN1; SMN2LMNACASP1

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-2012151567-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2012-11-08 — — WO disclosed
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