SCHEMBL8169494

SCHEMBL8169494

CCOC(=O)C1CCCN(CCOC2Cc3cc(Cl)ccc3Sc3ccccc32)C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
ALDH1A1 P00352 9/20 0.54
KDM4E B2RXH2 8/20 0.52
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL8173592 0.94 ALDH1A1 (0.62) LMNAALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL8161721 0.92 LMNA (0.49) LMNAALDH1A1KDM4EL3MBTL1ATM
SCHEMBL8169322 0.90 LMNA (0.65) LMNAALDH1A1KDM4EATMSMN1; SMN2
SCHEMBL8168307 0.90 KDM4E (0.50) LMNAALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL8168304 0.90 KDM4E (0.50) LMNAALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL7604154 0.89 LMNA (0.66) LMNAALDH1A1
SCHEMBL8173849 0.89 ALDH1A1 (0.49) LMNAALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL8173853 0.89 ALDH1A1 (0.49) LMNAALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL8161909 0.89 LMNA (0.61) LMNAALDH1A1KDM4EMAPTMAPK1
Oxalic Acid SCHEMBL8161910 0.89 LMNA (0.65) LMNAALDH1A1

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
US-6060468-A ANTIINFLAMMATORY AGENTS NOVO NORDISK A/S (DK) 2000-05-09 US disclosed
EP-0934314-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
WO-1998015550-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-04-16 WO disclosed