SCHEMBL9380919

SCHEMBL9380919

O=c1cc(Br)[nH]c(=O)n1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.38
BCAT1 P54687 2/20 0.38
GABRB3 P28472 8/20 0.36
GABRA2 P47869 7/20 0.36
GABRB2 P47870 7/20 0.36
GABRP O00591 4/20 0.36
GABRD O14764 4/20 0.36
GABRA1 P14867 4/20 0.36
GABRB1 P18505 4/20 0.36
GABRG2 P18507 4/20 0.36
GABRA5 P31644 4/20 0.36
GABRA3 P34903 4/20 0.36
GABRA4 P48169 4/20 0.36
GABRE P78334 4/20 0.36
GABRA6 Q16445 4/20 0.36
GABRG1 Q8N1C3 4/20 0.36
GABRG3 Q99928 4/20 0.36
GABRQ Q9UN88 4/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36

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
SCHEMBL9376083 0.84 BCAT1 (0.53) BCAT2BCAT1CDK4CCND1SMN1; SMN2
SCHEMBL9376013 0.83 SMN1; SMN2 (0.38) BCAT2BCAT1CDK4CCND1MEN1
SCHEMBL9379625 0.79 CDK4 (0.43) BCAT2BCAT1GABRB3GABRA2GABRB2
SCHEMBL9379682 0.73 BCAT1 (0.54) BCAT2BCAT1CDK4CCND1SMN1; SMN2
SCHEMBL9376465 0.69 BCAT1 (0.44) BCAT2BCAT1CDK4CCND1SMN1; SMN2
SCHEMBL9375574 0.68 CDK4 (0.36) BCAT2BCAT1CDK4CCND1
SCHEMBL9723057 0.67 ALDH1A1 (0.53) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9723055 0.67 GABRA2 (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10678734 0.66 GABRA2 (0.38) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8891762 0.65 CDK4 (0.40) GABRB3GABRA2GABRB2GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0438209-B1 Uracil derivatives and pesticides containing the same as active ingredient NISSAN CHEMICAL IND LTD (JP) 1994-09-21 EP disclosed
US-5116404-A URACIL DERIVATIVES AND PESTICIDES CONTAINING THE SAME AS ACTIVE INGREDIENT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-05-26 US disclosed
EP-0438209-A1 Uracil derivatives and pesticides containing the same as active ingredient NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1991-07-24 EP disclosed