SCHEMBL11359331

SCHEMBL11359331

O=[N+]([O-])c1ccc(SCCc2ccccc2)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 8/20 0.61
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
GSTP1 P09211 1/20 0.49
GSTM2 P28161 1/20 0.49
PDE4B Q07343 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE7B Q9NP56 1/20 0.48
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
USP2 O75604 1/20 0.47
ALPG P10696 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL29900473 0.87 PDE7A (0.62) PDE7ANPC1RAB9AGSTP1GSTM2
SCHEMBL6191726 0.87 PDE7A (0.62) PDE7ANPC1RAB9AGSTP1GSTM2
SCHEMBL11330772 0.81 ALDH1A1 (0.53) PDE7ANPC1GSTP1GSTM2HSD17B10
SCHEMBL6811842 0.78 PDE7A (0.51) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL6815838 0.77 PDE7A (0.56) PDE7ANPC1RAB9APDE4BPDE4D
SCHEMBL8308859 0.76 PDE7A (1.00) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL11707852 0.75 ALDH1A1 (0.74) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8395124 0.75 GSTP1 (0.50) NPC1RAB9AGSTP1GSTM2HSD17B10
SCHEMBL8399947 0.75 ALDH1A1 (0.43) NPC1RAB9AGSTP1GSTM2ALDH1A1
SCHEMBL27581742 0.74 PDE7A (0.75) PDE7APDE4BPDE4DPDE7BHSD17B10

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
US-4294986-A Novel para-phenylalkoxy phenylurea and thiourea compounds and herbicidal use thereof AMERICAN CYANAMID CO. (US) 1981-10-13 US disclosed
US-4289903-A PREEMERGENCE AND POSTEMERGENCE AMERICAN CYANAMID COMPANY (US) 1981-09-15 US disclosed