SCHEMBL8010754

SCHEMBL8010754

CN(C)CCCOc1cc(C(=O)O)n(Cc2ccccc2)n1.NC(=O)c1nc2ccc(Cl)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 2/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 4/20 0.45
KMT2A Q03164 3/20 0.42
GRN P28799 3/20 0.39
SORT1 Q99523 3/20 0.39
PPARD Q03181 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GUCY1B2 O75343 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL8010760 0.91 MAPK1 (0.47) SMN1; SMN2MAPK1TP53GAANPSR1
SCHEMBL8010758 0.83 CASP3 (0.50) SMN1; SMN2MAPK1TP53GAANPSR1
SCHEMBL7999906 0.82 GRN (0.55) SMN1; SMN2GRNSORT1KDM4EGUCY1B2
SCHEMBL8009903 0.81 KDM4E (0.45) MAPK1GAANPSR1MAPTGRN
SCHEMBL5038706 0.80 KDM4E (0.51) SMN1; SMN2GRNSORT1KDM4EGUCY1B2
3-Chloroaniline SCHEMBL8009908 0.80 KDM4E (0.47) SMN1; SMN2MAPK1GAANPSR1MAPT
SCHEMBL8007915 0.77 KDM4E (0.45) SMN1; SMN2GRNSORT1KDM4EGUCY1B2
SCHEMBL8008243 0.77 GRN (0.44) SMN1; SMN2GRNSORT1KDM4EGUCY1B2
SCHEMBL8010513 0.77 GRN (0.44) SMN1; SMN2MAPTKMT2AGRNSORT1
SCHEMBL8008150 0.76 GRN (0.41) KMT2AGRNSORT1KDM4EGUCY1B2

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 1 patent. 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 disclosed