SCHEMBL7950863

SCHEMBL7950863

C=CCn1c(-c2ccccc2)ncc(COC(C)=O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
ADORA2B P29275 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
KDM4E B2RXH2 4/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL7950942 0.90 ALDH1A1 (0.38) ALDH1A1L3MBTL1KDM4EHSD17B10KMT2A
SCHEMBL7962214 0.87 ALDH1A1 (0.46) ALDH1A1ADORA2BL3MBTL1KDM4ESMN1; SMN2
SCHEMBL7951054 0.85 CYP1A2 (0.43) ALDH1A1L3MBTL1KDM4ESMN1; SMN2HPGD
SCHEMBL7961174 0.82 ALDH1A1 (0.45) ALDH1A1ADORA2BL3MBTL1KDM4ESMN1; SMN2
SCHEMBL7293735 0.78 KDM4E (0.54) ALDH1A1L3MBTL1KDM4ELMNASMN1; SMN2
SCHEMBL7293146 0.77 ALDH1A1 (0.48) ALDH1A1ADORA2BL3MBTL1KDM4ESMN1; SMN2
SCHEMBL7959205 0.77 ALDH1A1 (0.49) ALDH1A1ADORA2BL3MBTL1KDM4ELMNA
SCHEMBL7965013 0.76 HSD17B10 (0.37) ALDH1A1ADORA2BKDM4ELMNASMN1; SMN2
SCHEMBL7294277 0.74 ELANE (0.59) NPC1RAB9A
SCHEMBL7965028 0.74 ALDH1A1 (0.47) ALDH1A1ADORA2BL3MBTL1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300337-B1 Acetamide derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-10-09 US disclosed
EP-1055683-A1 NOVEL ACETAMIDE DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2000-11-29 EP disclosed