SCHEMBL8952652

SCHEMBL8952652

CC(O)CCCCCCCCCn1cnc2c(=O)[nH]c(=O)n(C)c21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 1/20 0.39
▸ PNP P00491 10/20 0.38
▸ HPRT1 P00492 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL8952618 0.87 TK1 (0.41) TK1PNPHPRT1KDM4ELMNA
SCHEMBL27483073 0.83 KMT2A (0.48) TK1KDM4ELMNAPOLBMAPK1
SCHEMBL28151874 0.82 TK1 (0.50) TK1HPRT1KDM4ELMNAPOLB
SCHEMBL9385871 0.80 CYP2C19 (0.36) TK1HPRT1LMNAMAPK1CYP2C9
SCHEMBL9120166 0.80 RXFP1 (0.49) TK1PNPHPRT1KDM4ELMNA
SCHEMBL5093664 0.79 PNP (0.41) TK1PNPHPRT1KDM4ELMNA
SCHEMBL8952234 0.79 MAPK1 (0.40) TK1PNPHPRT1KDM4ELMNA
SCHEMBL9682194 0.79 MAPK1 (0.60) KDM4ELMNAPOLBMAPK1KMT2A
SCHEMBL8952352 0.79 MAPK1 (0.40) TK1PNPHPRT1KDM4ELMNA
SCHEMBL652922 0.78 MAPK1 (0.39) KDM4ELMNAPOLBMAPK1KMT2A

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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