SCHEMBL1420944

SCHEMBL1420944

CCC(CCCc1c[nH]c2c(C(=N)NO)cccc12)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MPO P05164 5/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
UBE2N P61088 1/20 0.35
SLC6A4 P31645 3/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34

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
SCHEMBL1420481 0.77 SMN1; SMN2 (0.55) HTTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL1420923 0.76 HTT (0.54) HTTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL1420103 0.75 SMN1; SMN2 (0.51) HTTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL10990213 0.67 KDM4E (0.58) SMN1; SMN2ALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL23656503 0.67 LMNA (0.55) HTTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL9749227 0.66 CA2 (0.41)
SCHEMBL17693398 0.65 MAPK1 (0.44) SMN1; SMN2ALDH1A1MAPT
SCHEMBL22876029 0.65 KDM4E (0.45) HTTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL23656515 0.64 SCN9A (0.51) SMN1; SMN2LMNAKDM4EL3MBTL1MAPT
SCHEMBL8807094 0.64 HTT (0.61) HTTSMN1; SMN2ALDH1A1LMNAKDM4E

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
EP-2297139-A1 COMPOUNDS Glaxo Group Limited (GB) 2011-03-23 EP disclosed
WO-2009153307-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-23 WO disclosed