SCHEMBL8952242

SCHEMBL8952242

C=CCCN1CN(C)c2c1n(C)c(=O)[nH]c2=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM1A O60341 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
SCHEMBL8952206 0.92 EPHX2 (0.32) EPHX2ALDH1A1HPGDHSD17B10MAPT
SCHEMBL8803812 0.91 HSD17B10 (0.34) EPHX2ALDH1A1HPGDHSD17B10MAPT
SCHEMBL9027308 0.89 HSD17B10 (0.34) EPHX2ALDH1A1HPGDHSD17B10MAPT
SCHEMBL8952345 0.89 HSD17B10 (0.34) EPHX2ALDH1A1HPGDHSD17B10MAPT
SCHEMBL8952197 0.89 HSD17B10 (0.34) EPHX2ALDH1A1HPGDHSD17B10MAPT
SCHEMBL8802655 0.89 HSD17B10 (0.34) EPHX2ALDH1A1HPGDHSD17B10MAPT
SCHEMBL8952266 0.89 HSD17B10 (0.34) EPHX2ALDH1A1HPGDHSD17B10MAPT
SCHEMBL9118291 0.89 HSD17B10 (0.34) EPHX2ALDH1A1HPGDHSD17B10MAPT
SCHEMBL7201249 0.89 HSD17B10 (0.34) EPHX2ALDH1A1HPGDHSD17B10MAPT
SCHEMBL8952275 0.89 HSD17B10 (0.34) EPHX2ALDH1A1HPGDHSD17B10MAPT

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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