SCHEMBL8918577

SCHEMBL8918577

CCOC(=O)c1c(C)nc(N)c(C#N)c1-c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
KDM4E B2RXH2 4/20 0.66
MAPT P10636 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
HPGD P15428 3/20 0.66
RAB9A P51151 2/20 0.66
NPSR1 Q6W5P4 2/20 0.66
LMNA P02545 2/20 0.66
NPC1 O15118 1/20 0.66
GAA P10253 1/20 0.66
HSD17B10 Q99714 2/20 0.59
TP53 P04637 1/20 0.59
HTT P42858 3/20 0.59
ADRA2A P08913 1/20 0.59
ADORA2A P29274 1/20 0.59
RXFP1 Q9HBX9 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ADORA3 P0DMS8 1/20 0.52

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
SCHEMBL8917192 0.89 ALDH1A1 (0.65) ALDH1A1L3MBTL1KDM4EMAPTSMN1; SMN2
SCHEMBL8918613 0.87 GAA (0.68) ALDH1A1L3MBTL1KDM4EMAPTSMN1; SMN2
SCHEMBL8974906 0.85 HSD17B10 (0.68) ALDH1A1L3MBTL1KDM4ESMN1; SMN2HPGD
SCHEMBL8917637 0.85 CACNB4 (0.54) ALDH1A1L3MBTL1KDM4EMAPTSMN1; SMN2
SCHEMBL10379148 0.84 ALDH1A1 (1.00) ALDH1A1L3MBTL1KDM4EMAPTSMN1; SMN2
SCHEMBL14616739 0.81 SMN1; SMN2 (0.73) ALDH1A1L3MBTL1KDM4EMAPTSMN1; SMN2
SCHEMBL15976546 0.80 ALDH1A1 (1.00) ALDH1A1L3MBTL1KDM4EMAPTSMN1; SMN2
SCHEMBL22866595 0.79 ADORA3 (0.58) ALDH1A1L3MBTL1KDM4EMAPTSMN1; SMN2
SCHEMBL29662041 0.79 ADORA3 (0.58) ALDH1A1L3MBTL1KDM4EMAPTSMN1; SMN2
SCHEMBL1195232 0.77 MAPT (0.68) ALDH1A1L3MBTL1KDM4EMAPTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670525-A Substituted 4-phenyl-6-amino-nicotinic acid compounds useful in the treatment of CNS disorders BAYER AKTIENGESELLSCHAFT (DE) 1997-09-23 US claimed
EP-0705820-A1 6-Amino-nicotinic acid derivatives and their use as selective K-channel modulators BAYER AG (DE) 1996-04-10 EP claimed
US-5670525-A Substituted 4-phenyl-6-amino-nicotinic acid compounds useful in the treatment of CNS disorders BAYER AKTIENGESELLSCHAFT (DE) 1997-09-23 US disclosed
EP-0705820-A1 6-Amino-nicotinic acid derivatives and their use as selective K-channel modulators BAYER AG (DE) 1996-04-10 EP disclosed