SCHEMBL7604115

SCHEMBL7604115

C=CCc1nc(Cc2nc(CC=C)[nH]c2C)c(C)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MCL1 Q07820 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4563307 0.79 NPSR1 (0.41) NPSR1ALDH1A1HPGDL3MBTL1MCL1
SCHEMBL391560 0.71 NPSR1 (0.33) NPSR1
SCHEMBL11221244 0.67 NPSR1 (0.31) NPSR1
SCHEMBL2050070 0.67 NPSR1 (0.31) NPSR1
SCHEMBL9558520 0.67
SCHEMBL9522589 0.65 ALDH1A1 (0.32) NPSR1ALDH1A1HPGDL3MBTL1MCL1
SCHEMBL5831317 0.64 HPGD (0.30) ALDH1A1HPGD
SCHEMBL11790343 0.63 NPSR1 (0.35) NPSR1ALDH1A1HPGDL3MBTL1MCL1
SCHEMBL5831434 0.63
SCHEMBL7155486 0.63 PKM (0.36) NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1262555-A None JP disclosed
EP-0889368-B1 Positive-chargeable toner, image forming method and apparatus unit CANON KK (JP) 2002-11-27 EP disclosed
US-6020102-A CONTAINING BISIMIDAZOLE CHARGE CONTROL AGENT CANON KABUSHIKI KAISHA (JP) 2000-02-01 US disclosed
EP-0889368-A1 Positive-chargeable toner, image forming method and apparatus unit CANON KABUSHIKI KAISHA (JP) 1999-01-07 EP disclosed
JP-H01262555-A POSITIVELY CHARGEABLE TONER SHIKOKU CHEM CORP 1989-10-19 JP disclosed