SCHEMBL8952618

SCHEMBL8952618

Cn1c(=O)[nH]c(=O)c2ncn(CCCCC(O)CO)c21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 2/20 0.41
▸ POLB P06746 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HPRT1 P00492 5/20 0.36
▸ PNP P00491 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL8952652 0.87 TK1 (0.39) TK1POLBLMNAKDM4EMAPK1
SCHEMBL27324978 0.85 LMNA (0.48) TK1POLBLMNASMN1; SMN2HPRT1
SCHEMBL28151874 0.83 TK1 (0.50) TK1POLBLMNAKDM4EMAPK1
SCHEMBL9385871 0.81 CYP2C19 (0.36) TK1LMNASMN1; SMN2MAPK1HPRT1
SCHEMBL27483073 0.80 KMT2A (0.48) TK1POLBLMNASMN1; SMN2KDM4E
SCHEMBL28324506 0.79 LMNA (0.41) TK1POLBLMNASMN1; SMN2KDM4E
SCHEMBL9120166 0.79 RXFP1 (0.49) TK1POLBLMNASMN1; SMN2KDM4E
SCHEMBL5093664 0.78 PNP (0.41) TK1POLBLMNAKDM4EMAPK1
SCHEMBL8952303 0.77 MAPK1 (0.41) TK1POLBLMNASMN1; SMN2KDM4E
SCHEMBL8952352 0.76 MAPK1 (0.40) TK1POLBLMNASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669825-A4 HYDROXYL-CONTAINING COMPOUNDS. CELL THERAPEUTICS INC (US) 1996-04-03 — — EP disclosed
EP-0669825-A1 HYDROXYL-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1995-09-06 — — EP disclosed
WO-1994011001-A1 HYDROXYL-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-05-26 — — WO disclosed
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