SCHEMBL8952201

SCHEMBL8952201

C=CCCCc1nc2c(c(=O)[nH]c(=O)n2C)n1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
HSD17B10 Q99714 4/20 0.48
HPGD P15428 4/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPK1 P28482 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 2/20 0.47
TNF P01375 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
PKM P14618 1/20 0.46
POLB P06746 2/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8803807 0.97 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDMAPTMEN1
SCHEMBL8952273 0.96 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDMAPTMEN1
SCHEMBL8952196 0.96 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDMAPTMEN1
SCHEMBL8802653 0.96 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDMAPTMEN1
SCHEMBL9118286 0.96 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDMAPTMEN1
SCHEMBL8952264 0.96 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDMAPTMEN1
SCHEMBL9027303 0.96 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDMAPTMEN1
SCHEMBL8952343 0.96 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDMAPTMEN1
SCHEMBL7201245 0.96 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDMAPTMEN1
SCHEMBL8952239 0.92 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDMAPTMEN1

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-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-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-1994015606-A1 OLEFIN-SUBSTITUTED LONG CHAIN COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-07-21 WO disclosed