SCHEMBL8009939

SCHEMBL8009939

CN(C)CCCOc1cc(C(=O)O)n(Cc2ccccc2)n1.NC(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.46
GRN P28799 3/20 0.43
SORT1 Q99523 3/20 0.43
GCGR P47871 2/20 0.42
PTGER4 P35408 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GUCY1B2 O75343 1/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL8009943 0.91 ALDH1A1 (0.47) ALDH1A1GAARECQLGRNSORT1
SCHEMBL8010513 0.87 GRN (0.44) ALDH1A1GRNSORT1SLC6A2SLC6A4
SCHEMBL8008243 0.85 GRN (0.44) ALDH1A1GRNSORT1SLC6A2SLC6A4
SCHEMBL7999906 0.84 GRN (0.55) ALDH1A1GRNSORT1SLC6A2SLC6A4
SCHEMBL8009940 0.84 ALDH1A1 (0.57) ALDH1A1GAARECQLSMN1; SMN2TP53
SCHEMBL7999008 0.83 KDM4E (0.44) GRNSORT1SLC6A2SLC6A4SMN1; SMN2
SCHEMBL8009903 0.82 KDM4E (0.45) GAAGRNSORT1SLC6A2SLC6A4
SCHEMBL5038706 0.82 KDM4E (0.51) ALDH1A1GRNSORT1SLC6A2SLC6A4
SCHEMBL8007915 0.81 KDM4E (0.45) ALDH1A1GRNSORT1SLC6A2SLC6A4
3,4,5-Trimethoxybenzamide SCHEMBL8009946 0.81 GRN (0.42) GAAGRNSORT1SLC6A2SLC6A4

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