SCHEMBL5810683

SCHEMBL5810683

C#CCN1C(=O)C(C)Oc2cc(Cl)c(-c3ccc(C(F)(F)F)n(C)c3=O)cc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
IDH1 O75874 1/20 0.30
RORC P51449 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
SCHEMBL7678934 0.73 CECR2 (0.38) IDH1
SCHEMBL5777245 0.72 BRD4 (0.34) ALDH1A1RORC
SCHEMBL5774211 0.71 KMO (0.36) TSHRKMT2A
SCHEMBL9480085 0.71 TSHR (0.36) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL8878642 0.69 TSHR (0.41) TSHRHTTMEN1KMT2ANPSR1
SCHEMBL25359627 0.69 TSHR (0.41) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL25354585 0.69 TSHR (0.41) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL5775170 0.68 COMT (0.36) MEN1KMT2AALDH1A1IDH1
SCHEMBL16063484 0.67 TSHR (0.33) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL16063459 0.67 TSHR (0.33) TSHRHTTMEN1KMT2AALDH1A1

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-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
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