SCHEMBL8803670

SCHEMBL8803670

CCCCCCCCC=CCCCCCCCCN1CN(C)c2c1n(C)c(=O)[nH]c2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 1/20 0.43
▸ MAPK10 P53779 1/20 0.41
▸ MGLL Q99685 3/20 0.41
▸ FAAH O00519 2/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MAPK1 P28482 4/20 0.37
▸ HTT P42858 4/20 0.37
▸ TSHR P16473 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ XBP1 P17861 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34

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
SCHEMBL5085666 0.92 MAPK10 (0.44) MAPK10MEN1KMT2AMAPK1HTT
SCHEMBL8952275 0.85 HSD17B10 (0.34) MAPK10MEN1KMT2AMAPK1HTT
SCHEMBL8952266 0.85 HSD17B10 (0.34) MAPK10MEN1KMT2AMAPK1HTT
SCHEMBL8952197 0.85 HSD17B10 (0.34) MAPK10MEN1KMT2AMAPK1HTT
SCHEMBL9392011 0.84 KMT2A (0.38) MAPK10MEN1KMT2AMAPK1HTT
SCHEMBL8952262 0.84 MAPK1 (0.34) MAPK1HPGDALDH1A1HSD17B10
SCHEMBL8803812 0.84 HSD17B10 (0.34) MAPK10MEN1KMT2AMAPK1HTT
SCHEMBL8432099 0.83 HPGD (0.33) TK1MAPK10MEN1KMT2AMAPK1
SCHEMBL8802577 0.83 MAPK10 (0.38) MAPK10MEN1KMT2AMAPK1HTT
SCHEMBL8952375 0.83 TK1 (0.40) TK1MAPK10MGLLFAAHMEN1

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 12 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-0746557-A4 INTRACELLULAR SIGNALLING MEDIATORS CELL THERAPEUTICS INC (US) 1997-05-02 — — EP disclosed
EP-0746557-A1 INTRACELLULAR SIGNALLING MEDIATORS CELL THERAPEUTICS, INC. (US) 1996-12-11 — — EP disclosed
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
WO-1995022546-A1 INTRACELLULAR SIGNALLING MEDIATORS CELL THERAPEUTICS, INC. (US) 1995-08-24 — — WO 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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