SCHEMBL5773940

SCHEMBL5773940

C#CCOCc1cc(-c2ccc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.32
AGPAT2 O15120 1/20 0.32
HSD11B1 P28845 1/20 0.32
ATM Q13315 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
SCHEMBL5773573 0.80 IDH1 (0.36) IDH1HSD11B1
SCHEMBL5775093 0.75 HSD11B1 (0.36) IDH1HSD11B1
SCHEMBL5776527 0.75 HSD11B1 (0.39) IDH1HSD11B1
SCHEMBL5773816 0.74 BRD4 (0.39) IDH1HSD11B1
SCHEMBL5773445 0.74 HSD11B1 (0.34) IDH1HSD11B1
SCHEMBL5770809 0.73 IDH1 (0.33) IDH1AGPAT2HSD11B1
SCHEMBL5771984 0.72 HSD11B1 (0.34) IDH1HSD11B1
SCHEMBL5776373 0.72 HSD11B1 (0.34) IDH1HSD11B1
SCHEMBL5773428 0.72 NPC1 (0.32) IDH1HSD11B1
SCHEMBL5775958 0.71 IDH1 (0.34) IDH1HSD11B1

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
EP-0885885-B1 PYRIDONE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2006-01-04 EP disclosed
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
EP-0885885-A1 PYRIDONE DERIVATIVES AND HERBICIDES KumaiI Chemical Industry Co., Ltd. (JP) 1998-12-23 EP disclosed