SCHEMBL7678934

SCHEMBL7678934

CC1Oc2cc(Cl)c(-c3ccc(C(F)(F)F)n(C)c3=O)cc2NC1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CECR2 Q9BXF3 1/20 0.38
PARP1 P09874 8/20 0.38
PDE3B Q13370 3/20 0.33
PDE3A Q14432 3/20 0.33
IDH1 O75874 1/20 0.33
SMYD3 Q9H7B4 2/20 0.31
BRD4 O60885 1/20 0.31
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL5810683 0.73 TSHR (0.36) IDH1
SCHEMBL5775170 0.72 COMT (0.36) IDH1
SCHEMBL5775618 0.69 KMO (0.47) PDE3BPDE3AIDH1
SCHEMBL6848865 0.68 PARP1 (0.35) CECR2PARP1PDE3BPDE3AHTR1A
SCHEMBL6848824 0.68 PARP1 (0.35) CECR2PARP1PDE3BPDE3AHTR1A
SCHEMBL5775925 0.67 NR3C2 (0.43) PARP1
SCHEMBL5773816 0.66 BRD4 (0.39) PDE3BPDE3AIDH1BRD4
SCHEMBL7000081 0.66 PARP1 (0.55) PARP1PDE3BPDE3ASMYD3
SCHEMBL531642 0.65 PARP1 (0.46) CECR2PARP1PDE3BPDE3ASMYD3
SCHEMBL5775116 0.65 HSD11B1 (0.47) IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6472348-B1 Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2002-10-29 US disclosed
US-6265349-B1 Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD (JP) 2001-07-24 US disclosed
US-6048823-A Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2000-04-11 US disclosed
EP-0885885-A1 PYRIDONE DERIVATIVES AND HERBICIDES KumaiI Chemical Industry Co., Ltd. (JP) 1998-12-23 EP disclosed