SCHEMBL9510364

SCHEMBL9510364

N#Cc1c(NC(=O)CO)cccc1N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.50
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
TSHR P16473 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
MCOLN3 Q8TDD5 2/20 0.47
POLB P06746 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
CYP2C9 P11712 1/20 0.46

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
SCHEMBL9510280 0.88 ALDH1A1 (0.56) ALDH1A1KDM4EKMT2AL3MBTL1LMNA
SCHEMBL9511582 0.84 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL11633900 0.84 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL11630652 0.80 LMNA (0.58) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL9510397 0.78 CYP1A2 (0.46) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL11635310 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL11613050 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL11615132 0.73 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL9511330 0.72 NPSR1 (0.51) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL11632345 0.72 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2AMEN1L3MBTL1

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
EP-0382216-B1 Novel substituted acetamide compounds TOYO BOSEKI (JP) 1993-10-20 EP claimed
EP-0382216-A1 Novel substituted acetamide compounds Toyo Boseki Kabushiki Kaisha (JP) 1990-08-16 EP claimed
EP-0382216-B1 Novel substituted acetamide compounds TOYO BOSEKI (JP) 1993-10-20 EP disclosed
US-5041462-A Novel substituted acetamide compounds and use as anti-allergic agents TOYO BOSEKI KABUSHIKI KAISHA (JP) 1991-08-20 US disclosed
EP-0382216-A1 Novel substituted acetamide compounds Toyo Boseki Kabushiki Kaisha (JP) 1990-08-16 EP disclosed