SCHEMBL8952586

SCHEMBL8952586

CN1CN(CCCCCCCCCCO)c2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ EPHB4 P54760 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ MAPK10 P53779 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MEN1 O00255 1/20 0.30

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
SCHEMBL8952508 1.00 KDM4E (0.36) KDM4EEPHB4EPHX2MAPK10KMT2A
SCHEMBL8952638 1.00 KDM4E (0.36) KDM4EEPHB4EPHX2MAPK10KMT2A
SCHEMBL8952620 1.00 KDM4E (0.36) KDM4EEPHB4EPHX2MAPK10KMT2A
SCHEMBL8952591 1.00 KDM4E (0.36) KDM4EEPHB4EPHX2MAPK10KMT2A
SCHEMBL8952545 0.86 EPHX2 (0.33) EPHX2MAPK10KMT2AMAPK1ALDH1A1
SCHEMBL9116975 0.85 PAOX (0.36) EPHX2MAPK10KMT2AMAPTCYP2C9
SCHEMBL9395069 0.85 PAOX (0.36) EPHX2MAPK10KMT2AMAPTCYP2C9
SCHEMBL8952645 0.85 — —
SCHEMBL8952512 0.85 — —
SCHEMBL8952687 0.85 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0662834-A4 NOVEL EPOXIDE-CONTAINING COMPOUNDS. CELL THERAPEUTICS INC (US) 1996-04-17 — — EP disclosed
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
EP-0662834-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1995-07-19 — — EP disclosed
WO-1994011001-A1 HYDROXYL-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-05-26 — — WO disclosed
WO-1994006431-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-03-31 — — WO disclosed
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