SCHEMBL6970023

SCHEMBL6970023

Cn1nc(-n2ncc(C#N)c2C=O)c(Cl)c1OC(F)F

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
HTT P42858 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.30
NPBWR1 P48145 1/20 0.30
MCHR1 Q99705 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
SCHEMBL6978102 0.87
SCHEMBL6978097 0.87
SCHEMBL8434475 0.84 RXRA (0.31) MAPT
SCHEMBL8110416 0.83 RXRA (0.31)
SCHEMBL8101901 0.83 KMT2A (0.40) MAPT
SCHEMBL6976485 0.83
SCHEMBL8606813 0.80
SCHEMBL8605879 0.79 PTGS1 (0.32)
SCHEMBL6971724 0.77
SCHEMBL7914049 0.76 PTGS2 (0.32) POLBHTTCYP1A2CYP2C19SMN1; SMN2

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-0782575-B1 SUBSTITUTED PYRAZOLYL-PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS AGENTS WITH HERBICIDAL ACTION BAYER CROPSCIENCE GMBH (DE) 2003-01-22 EP disclosed
US-6057270-A HERBICIDES HOECHST SCHERING AGREVO GMBH (DE) 2000-05-02 US disclosed
US-6028034-A FOR CONTROLLING WEEDS, UNWANTED PLANTS HOECHST SCHERING AGREVO GMBH (DE) 2000-02-22 US disclosed
US-5840912-A Substituted pyrazolyl-pyrazole derivatives, and their use as agents with herbicidal action HOECHST SCHERING AGREVO GMBH (DE) 1998-11-24 US disclosed
WO-1996009303-A1 SUBSTITUTED PYRAZOLYL-PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS AGENTS WITH HERBICIDAL ACTION HOECHST SCHERING AGREVO GMBH (DE) 1996-03-28 WO disclosed