SCHEMBL9510280

SCHEMBL9510280

N#Cc1c(NC(=O)CO)cccc1N1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
POLB P06746 2/20 0.56
MMP1 P03956 1/20 0.50
KCNQ2 O43526 7/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 2/20 0.49
PKM P14618 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
KDM4E B2RXH2 1/20 0.49
CSF1R P07333 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL9510364 0.88 ALDH1A1 (0.53) ALDH1A1POLBGAAKMT2AL3MBTL1
SCHEMBL9511330 0.83 NPSR1 (0.51) ALDH1A1MAPTPOLBMMP1GAA
SCHEMBL11632345 0.82 ALDH1A1 (0.51) ALDH1A1MAPTPOLBMMP1KCNQ2
SCHEMBL9510397 0.80 CYP1A2 (0.46) ALDH1A1MAPTGAAKMT2APKM
SCHEMBL11485703 0.79 L3MBTL1 (0.55) ALDH1A1MAPTPOLBMMP1GAA
SCHEMBL11485068 0.77 ALDH1A1 (0.56) ALDH1A1MAPTPOLBMMP1KCNQ2
SCHEMBL11612848 0.75 MMP1 (0.48) ALDH1A1MAPTPOLBMMP1KMT2A
SCHEMBL11613027 0.74 MMP1 (0.47) ALDH1A1MAPTPOLBMMP1KMT2A
SCHEMBL11613019 0.74 MMP1 (0.47) ALDH1A1MAPTPOLBMMP1KMT2A
SCHEMBL9510680 0.74 GAA (0.42) ALDH1A1MAPTGAAKMT2APKM

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