SCHEMBL11729151

SCHEMBL11729151

COc1cccc(C(=O)O)c1C=C1SC(=S)NC1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 1/20 0.60
PDE4B Q07343 3/20 0.60
CISD1 Q9NZ45 3/20 0.53
PDE3A Q14432 1/20 0.53
MAOB P27338 2/20 0.53
PIM1 P11309 2/20 0.53
DYRK1A Q13627 2/20 0.53
MAOA P21397 1/20 0.53
CDC7 O00311 1/20 0.53
PLK4 O00444 1/20 0.53
DAPK3 O43293 1/20 0.53
DYRK3 O43781 1/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53
PRKCG P05129 1/20 0.53
CDK1 P06493 1/20 0.53
RPS6KB1 P23443 1/20 0.53
AKT1 P31749 1/20 0.53
CSNK1A1 P48729 1/20 0.53
CSNK1D P48730 1/20 0.53

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
SCHEMBL11729145 1.00 NAT1 (0.60) NAT1PDE4BCISD1PDE3AMAOB
SCHEMBL13499563 0.87 NAT1 (0.72) NAT1PDE4BCISD1PDE3AMAOB
SCHEMBL18102948 0.84 NAT1 (0.64) NAT1PDE4BCISD1PDE3AMAOB
SCHEMBL11738418 0.82 NAT1 (0.73) NAT1PDE4BCISD1PDE3AMAOB
SCHEMBL11738412 0.82 NAT1 (0.73) NAT1PDE4BCISD1PDE3AMAOB
SCHEMBL13499574 0.81 NAT1 (0.64) NAT1PDE4BCISD1PDE3AMAOB
SCHEMBL2065192 0.78 CISD1 (0.70) NAT1PDE4BCISD1PTP4A3MEN1
SCHEMBL2065191 0.78 CISD1 (0.70) NAT1PDE4BCISD1PTP4A3MEN1
SCHEMBL10090195 0.78 CISD1 (0.70) NAT1PDE4BCISD1PTP4A3MEN1
SCHEMBL15347653 0.77 NAT1 (0.76) NAT1PDE4BCISD1PDE3AMAOB

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-4018891-A INHIBITORS OF ANTIGEN-ANTIBODY REACTIONS RICHARDSON-MERRELL INC. (US) 1977-04-19 US disclosed
US-3960892-A ANTIGEN-ANTIBODY REACTION INHIBITION RICHARDSON-MERRELL INC. (US) 1976-06-01 US disclosed