SCHEMBL8009943

SCHEMBL8009943

CN(C)CCCOc1cc(C(=O)O)n(Cc2ccccc2)n1.Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
RECQL P46063 1/20 0.47
GRN P28799 3/20 0.44
SORT1 Q99523 3/20 0.44
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GUCY1B2 O75343 1/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
GUCY1A2 P33402 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL8009939 0.91 ALDH1A1 (0.46) ALDH1A1GAARECQLGRNSORT1
4-Bromoaniline SCHEMBL8010520 0.86 GRN (0.46) ALDH1A1GAAGRNSORT1SMN1; SMN2
SCHEMBL7999906 0.86 GRN (0.55) ALDH1A1GRNSORT1SMN1; SMN2KDM4E
SCHEMBL8009940 0.85 ALDH1A1 (0.57) ALDH1A1GAARECQLTP53SMN1; SMN2
SCHEMBL8008246 0.84 GRN (0.46) ALDH1A1GRNSORT1SMN1; SMN2KDM4E
SCHEMBL7999013 0.83 GRN (0.44) ALDH1A1GRNSORT1SMN1; SMN2KDM4E
SCHEMBL8007921 0.83 GRN (0.46) ALDH1A1GRNSORT1SMN1; SMN2KDM4E
3-Chloroaniline SCHEMBL8009908 0.82 KDM4E (0.47) ALDH1A1GAAGRNSORT1SMN1; SMN2
SCHEMBL8009956 0.80 GRN (0.43) ALDH1A1GAAGRNSORT1TP53
SCHEMBL8007327 0.80 GRN (0.41) ALDH1A1GAAGRNSORT1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 WO claimed
WO-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 WO disclosed