SCHEMBL10346500

SCHEMBL10346500

Cn1c(=O)n(CCCCC(C)(C)O)c(=O)c2c1ncn2CC(O)CO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.65
▸ SMN1; SMN2 Q16637 4/20 0.65
▸ POLB P06746 2/20 0.65
▸ CYP1A2 P05177 2/20 0.50
▸ NFKB1 P19838 2/20 0.50
▸ ACHE P22303 2/20 0.50
▸ PDE4A P27815 2/20 0.50
▸ PMP22 Q01453 2/20 0.50
▸ ESR1 P03372 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ RXFP1 Q9HBX9 4/20 0.46
▸ ADORA2B P29275 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ TNF P01375 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ GAA P10253 1/20 0.45

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
SCHEMBL10346839 0.91 LMNA (0.52) LMNASMN1; SMN2POLBCYP1A2NFKB1
SCHEMBL17682127 0.90 LMNA (0.62) LMNASMN1; SMN2POLBCYP1A2NFKB1
SCHEMBL10346830 0.89 LMNA (0.63) LMNASMN1; SMN2POLBCYP1A2NFKB1
SCHEMBL10346307 0.87 LMNA (0.61) LMNASMN1; SMN2POLBCYP1A2NFKB1
SCHEMBL10346304 0.85 LMNA (0.56) LMNASMN1; SMN2POLBCYP1A2NFKB1
SCHEMBL19601304 0.85 PDE4A (0.58) LMNASMN1; SMN2POLBCYP1A2NFKB1
SCHEMBL5427270 0.84 PDE4A (0.70) LMNASMN1; SMN2CYP1A2NFKB1ACHE
SCHEMBL7030926 0.83 PDE4A (0.62) LMNASMN1; SMN2CYP1A2NFKB1ACHE
SCHEMBL7358934 0.83 PDE4A (0.69) LMNASMN1; SMN2CYP1A2NFKB1ACHE
SCHEMBL10346301 0.82 ADORA2B (0.63) LMNASMN1; SMN2CYP1A2NFKB1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268585-B1 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 — — EP disclosed
US-4833146-A BRAINS, BLOOD DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-23 — — US disclosed
EP-0268585-A1 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF. HOECHST AG (DE) 1988-06-01 — — EP disclosed
WO-1987000523-A2 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1987-01-29 — — WO disclosed
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