SCHEMBL11602297

SCHEMBL11602297

CCCCCC(=O)c1c(C(=O)c2ccccc2)no[n+]1[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CATSPER1 Q8NEC5 2/20 0.64
ALDH1A1 P00352 6/20 0.51
MAPT P10636 4/20 0.51
HPGD P15428 3/20 0.51
MAPK1 P28482 3/20 0.51
HTT P42858 3/20 0.51
NPC1 O15118 2/20 0.51
HSP90AA1 P07900 2/20 0.51
RAB9A P51151 2/20 0.51
MITF O75030 1/20 0.51
LMNA P02545 3/20 0.48
TP53 P04637 2/20 0.48
PTPN7 P35236 2/20 0.48
HSD17B10 Q99714 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CES2 O00748 3/20 0.47
CES1 P23141 3/20 0.47
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
DUSP3 P51452 1/20 0.40

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
SCHEMBL11604046 0.99 CATSPER1 (0.63) CATSPER1ALDH1A1MAPTHPGDMAPK1
SCHEMBL11602301 0.90 CATSPER1 (0.64) CATSPER1ALDH1A1MAPTHPGDMAPK1
SCHEMBL11604042 0.89 CATSPER1 (0.63) CATSPER1ALDH1A1MAPTHPGDMAPK1
SCHEMBL11605282 0.82 CES2 (0.39) CATSPER1ALDH1A1MAPTHPGDMAPK1
SCHEMBL11606247 0.81 CES2 (0.41) ALDH1A1MAPTHPGDMAPK1HTT
SCHEMBL11602849 0.81 CES2 (0.41) ALDH1A1MAPTHPGDMAPK1HTT
SCHEMBL11603395 0.81 CES2 (0.41) ALDH1A1MAPTHPGDMAPK1HTT
SCHEMBL8370264 0.81 CES2 (0.41) ALDH1A1MAPTHPGDMAPK1HTT
SCHEMBL11603908 0.81 CES2 (0.41) ALDH1A1MAPTHPGDMAPK1HTT
SCHEMBL8373236 0.81 CES2 (0.41) ALDH1A1MAPTHPGDMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4089867-A Preparation of diacylfurazan oxides TEXACO INC. (US) 1978-05-16 US disclosed