SCHEMBL6187171

SCHEMBL6187171

NC(=O)c1ccccc1-c1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.50
▸ RORB Q92753 2/20 0.47
▸ TAS2R14 Q9NYV8 1/20 0.47
▸ CHEK1 O14757 1/20 0.45
▸ ALOX5AP P20292 1/20 0.44
▸ FEN1 P39748 1/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SCN9A Q15858 3/20 0.43
▸ PARP1 P09874 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ NOTUM Q6P988 2/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ RORC P51449 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL31583298 0.84 BCAT2 (0.51) BCAT2RORBCHEK1ALOX5APFEN1
SCHEMBL27635470 0.83 BCAT2 (0.63) BCAT2RORBCHEK1ALOX5APFEN1
SCHEMBL27635469 0.80 BCAT2 (0.62) BCAT2CHEK1ALOX5APFEN1LMNA
SCHEMBL5494348 0.80 MAPK8 (0.51) BCAT2RORBCHEK1LMNAPDK2
SCHEMBL28260267 0.79 BCAT2 (0.45) BCAT2CHEK1ALOX5APFEN1LMNA
SCHEMBL7808032 0.78 AR (0.58) ALOX5APFEN1LMNAMAPTMEN1
SCHEMBL6187361 0.78 BCAT2 (0.44) BCAT2CHEK1ALOX5APFEN1SCN9A
SCHEMBL27656527 0.77 AR (0.51) BCAT2RORBCHEK1ALOX5APFEN1
SCHEMBL2564888 0.75 BCAT2 (0.65) BCAT2PARP1SMN1; SMN2GAA
SCHEMBL31315851 0.75 NOTUM (0.45) RORBTAS2R14ALOX5APFEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572686-A1 ANTHRANILIC ACID AMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE Novartis AG (CH) 2005-09-14 — — EP disclosed
WO-2004052884-A1 ANTHRANILIC ACID AMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE NOVARTIS AG (CH) 2004-06-24 — — WO disclosed
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