SCHEMBL8773412

SCHEMBL8773412

CCC(=O)Nc1ccc(N=O)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.68
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.53
MAPK1 P28482 1/20 0.53
AHR P35869 1/20 0.53
KMT2A Q03164 6/20 0.51
MEN1 O00255 3/20 0.50
RAB9A P51151 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HPGD P15428 1/20 0.48
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 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
SCHEMBL12392897 0.88 HTT (0.56) HTTALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL14045219 0.87 ALDH1A1 (0.52) HTTALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL10852085 0.80 ALDH1A1 (0.82) HTTALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL14268394 0.80 HTT (0.74) HTTALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL14219285 0.80 ALDH1A1 (0.54) HTTALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL21765855 0.79 HTT (0.72) HTTALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL21217705 0.79 HTT (0.72) HTTALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL14045220 0.79 KMT2A (0.58) HTTALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL8773406 0.77 LPAR1 (0.44) ALDH1A1SMN1; SMN2MAPTRAB9AHPGD
SCHEMBL21727946 0.75 KMT2A (0.55) ALDH1A1SMN1; SMN2MAPK1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644184-B1 Azoxycyanobenzene derivatives and their use as fungicides SHELL INT RESEARCH (NL) 1997-11-05 EP disclosed
US-5439897-A For applying to plants, seeds or soils AMERICAN CYANAMID COMPANY (US) 1995-08-08 US disclosed
EP-0644184-A1 Azoxycyanobenzene derivatives and their use as fungicides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1995-03-22 EP disclosed