SCHEMBL9034161

SCHEMBL9034161

Cc1nnc(-c2cc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)c(F)cc2Cl)o1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PARG Q86W56 1/20 0.32
GAA P10253 1/20 0.31
ATM Q13315 1/20 0.31
MDM2 Q00987 1/20 0.30
RORC P51449 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL2838726 0.81 BCAT1 (0.33) PARG
SCHEMBL2842351 0.80 SMN1; SMN2 (0.33) LRRK2
SCHEMBL2838234 0.80 KDM4E (0.39) GAA
SCHEMBL10695874 0.80 BCAT1 (0.34) GAAATM
SCHEMBL10695876 0.80 BCAT1 (0.34) GAAATM
SCHEMBL9037404 0.80 BCAT1 (0.48) NOTUMCA12CA1CA2CA9
SCHEMBL38662770 0.79 GAA (0.34) GAAATM
SCHEMBL10697818 0.79 GAA (0.34) GAAATM
SCHEMBL2837079 0.78 PDK2 (0.32) LRRK2
SCHEMBL1573400 0.78

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-0408382-B1 Uracil derivatives and herbicides containing the same as active ingredient NISSAN CHEMICAL IND LTD (JP) 1996-09-18 EP disclosed
US-5127935-A Halogen, phenyl and heterocycle substituents, agricultural use NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-07-07 US disclosed
US-5084084-A Uracil and thiouracil derivatives NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-01-28 US disclosed
EP-0408382-A2 Uracil derivatives and herbicides containing the same as active ingredient NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1991-01-16 EP disclosed