SCHEMBL8952262

SCHEMBL8952262

CC=CCCCN1CN(C)c2c1n(C)c(=O)[nH]c2=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ EPHX2 P34913 1/20 0.31

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
SCHEMBL8952206 0.85 EPHX2 (0.32) MAPK1ALDH1A1HPGDHSD17B10EPHX2
SCHEMBL6944697 0.85 MAPT (0.37) MAPK1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8803670 0.84 TK1 (0.43) MAPK1ALDH1A1HPGDHSD17B10
SCHEMBL8803812 0.82 HSD17B10 (0.34) MAPK1ALDH1A1HPGDHSD17B10EPHX2
SCHEMBL9229524 0.82 MAPK10 (0.33) MAPK1HPGDEPHX2
SCHEMBL9027308 0.81 HSD17B10 (0.34) MAPK1ALDH1A1HPGDHSD17B10EPHX2
SCHEMBL9118291 0.81 HSD17B10 (0.34) MAPK1ALDH1A1HPGDHSD17B10EPHX2
SCHEMBL8802655 0.81 HSD17B10 (0.34) MAPK1ALDH1A1HPGDHSD17B10EPHX2
SCHEMBL7201249 0.81 HSD17B10 (0.34) MAPK1ALDH1A1HPGDHSD17B10EPHX2
SCHEMBL8952197 0.81 HSD17B10 (0.34) MAPK1ALDH1A1HPGDHSD17B10EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0697873-A4 — — 1996-04-03 — — EP claimed
EP-0697873-A1 OLEFIN-SUBSTITUTED LONG CHAIN COMPOUNDS CELL THERAPEUTICS, INC. (US) 1996-02-28 — — EP claimed
WO-1994015606-A1 OLEFIN-SUBSTITUTED LONG CHAIN COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-07-21 — — WO claimed
EP-0662834-A4 NOVEL EPOXIDE-CONTAINING COMPOUNDS. CELL THERAPEUTICS INC (US) 1996-04-17 — — EP disclosed
EP-0697873-A4 — — 1996-04-03 — — EP disclosed
EP-0697873-A1 OLEFIN-SUBSTITUTED LONG CHAIN COMPOUNDS CELL THERAPEUTICS, INC. (US) 1996-02-28 — — EP disclosed
EP-0662834-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1995-07-19 — — EP disclosed
WO-1994015606-A1 OLEFIN-SUBSTITUTED LONG CHAIN COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-07-21 — — WO disclosed
WO-1994006431-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-03-31 — — WO disclosed
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