SCHEMBL8803669

SCHEMBL8803669

CCCCCCCCC=CCCCCCCCCc1nc2c(c(=O)[nH]c(=O)n2C)n1C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
TSHR P16473 3/20 0.51
HPGD P15428 3/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
XBP1 P17861 2/20 0.50
HSD17B10 Q99714 4/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 1/20 0.46
USP2 O75604 1/20 0.45
RAB9A P51151 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL8952280 0.96 MAPK1 (0.48) MAPK1SMN1; SMN2TSHRHPGDHTT
SCHEMBL5085665 0.94 MAPK1 (0.56) MAPK1SMN1; SMN2TSHRHPGDHTT
SCHEMBL9027133 0.93 MAPK1 (0.45) MAPK1SMN1; SMN2TSHRHPGDHTT
SCHEMBL8952366 0.93 MAPK1 (0.45) MAPK1SMN1; SMN2TSHRHPGDHTT
SCHEMBL6257143 0.86 MAPK1 (0.45) MAPK1SMN1; SMN2TSHRHPGDHTT
SCHEMBL8952260 0.86 MAPK1 (0.54) MAPK1SMN1; SMN2TSHRHPGDLMNA
SCHEMBL9392009 0.85 SMN1; SMN2 (0.53) MAPK1SMN1; SMN2TSHRHPGDHTT
SCHEMBL8952264 0.85 ALDH1A1 (0.47) MAPK1SMN1; SMN2HPGDHTTLMNA
SCHEMBL8952196 0.85 ALDH1A1 (0.47) MAPK1SMN1; SMN2HPGDHTTLMNA
SCHEMBL8952343 0.85 ALDH1A1 (0.47) MAPK1SMN1; SMN2HPGDHTTLMNA

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