SCHEMBL8729861

SCHEMBL8729861

COc1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1SC

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.34
PDE4D Q08499 6/20 0.34
GFER P55789 1/20 0.34
DHODH Q02127 3/20 0.33
PDE4A P27815 2/20 0.33
PDE4C Q08493 2/20 0.33
STAT3 P40763 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
PDE2A O00408 1/20 0.31
NR1H4 Q96RI1 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL8495847 0.92 PDE4B (0.35) PDE4BPDE4DGFERDHODHPDE4A
SCHEMBL8752741 0.89 PDE4D (0.33) PDE4BPDE4DDHODHPDE4APDE4C
SCHEMBL8752743 0.88 DHODH (0.36) PDE4BPDE4DGFERDHODHPDE4A
SCHEMBL9116932 0.86 DHODH (0.35) PDE4BPDE4DDHODHSTAT3ALDH1A1
SCHEMBL9115702 0.86 DHODH (0.36) DHODHNR1H4MEN1KMT2A
SCHEMBL8489281 0.86 DHODH (0.33) PDE4BPDE4DGFERDHODHPDE4A
SCHEMBL9114737 0.84 TUBB4A (0.35) DHODHALDH1A1HPGDPDE2A
SCHEMBL7575367 0.84 PDE4D (0.34) PDE4BPDE4DDHODHSTAT3ALDH1A1
SCHEMBL8493697 0.84 DHODH (0.35) PDE4BPDE4DDHODHSTAT3ALDH1A1
SCHEMBL8492504 0.84 DHODH (0.35) PDE4BDHODHALDH1A1HPGDPDE2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625508-B1 Sulfur-containing derivatives of 2-cyano-1,3-diones and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1998-08-19 EP disclosed
EP-0682659-B1 4-Benzoyl isoxazole derivatives, their preparation and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1997-04-16 EP disclosed
EP-0682659-A1 4-BENZOYL ISOXAZOLES AND THEIR USE AS HERBICIDES. RHONE POULENC AGRICULTURE (GB) 1995-11-22 EP disclosed
EP-0625508-A2 Sulfur-containing derivatives of 2-cyano-1,3-diones and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-11-23 EP disclosed
WO-1994018179-A1 4-BENZOYL ISOXAZOLES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD (GB) 1994-08-18 WO disclosed