SCHEMBL7989727

SCHEMBL7989727

N#Cc1cccc(S(=O)(=O)NCc2ccc(OCCCCOc3ccc(CNS(=O)(=O)c4cccc(C#N)c4)cc3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.55
PGR P06401 1/20 0.50
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RAB9A P51151 1/20 0.47
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
NAMPT P43490 1/20 0.44
NR3C2 P08235 1/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
KEAP1 Q14145 1/20 0.43
GLO1 Q04760 1/20 0.43
SLC40A1 Q9NP59 1/20 0.43
NSD2 O96028 1/20 0.43

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
SCHEMBL7982844 0.99 CYP19A1 (0.53) CYP19A1PGRLMNATSHRHTT
SCHEMBL7972170 0.99 CYP19A1 (0.53) CYP19A1PGRLMNATSHRHTT
SCHEMBL7973407 0.97 CYP19A1 (0.55) CYP19A1PGRLMNATSHRHTT
SCHEMBL7972389 0.96 CYP19A1 (0.56) CYP19A1PGRLMNATSHRHTT
SCHEMBL7972622 0.89 CYP19A1 (0.56) CYP19A1PGRRAB9AHRH2HRH1
SCHEMBL7596818 0.85 CYP19A1 (0.57) CYP19A1PGRHTTNAMPTNR3C2
SCHEMBL7983776 0.84 CYP19A1 (0.78) CYP19A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4019035 0.84 CYP19A1 (0.65) CYP19A1PGRLMNAHTTSMN1; SMN2
SCHEMBL7983880 0.83 CYP19A1 (0.76) CYP19A1LMNATSHRHTTSMN1; SMN2
SCHEMBL7972331 0.83 CYP19A1 (0.76) CYP19A1LMNATSHRHTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6221914-B1 ANTIINFLAMMATORY AGENTS ARRAY BIOPHARMA INC. 2001-04-24 US disclosed