SCHEMBL6136722

SCHEMBL6136722

COc1ccc(Cl)cc1C(=O)c1cc(C(F)(F)F)ccc1N.Nc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORB Q92753 3/20 0.46
RECQL P46063 1/20 0.45
MAPT P10636 4/20 0.45
GAA P10253 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RORC P51449 1/20 0.40

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
SCHEMBL5157491 0.90 RECQL (0.48) RORBRECQLMAPTPOLBLMNA
Formic Acid SCHEMBL5157620 0.86 RORB (0.44) RORBRECQLMAPTPOLBLMNA
SCHEMBL5342361 0.83 MAPT (0.54) RORBRECQLMAPTGAAPOLB
SCHEMBL14419284 0.80 POLB (0.51) RORBPOLBRORC
SCHEMBL6103175 0.80 POLB (0.66) RECQLMAPTGAAPOLBSMN1; SMN2
SCHEMBL3486347 0.78 MAPT (0.61) MAPTGAAPOLBTSHRLMNA
SCHEMBL10396396 0.77 RECQL (0.53) RECQLMAPTTSHRLMNAMAPK1
SCHEMBL2705425 0.77 RECQL (0.65) RORBRECQLMAPTSMN1; SMN2TSHR
SCHEMBL14419421 0.76 POLB (0.55) MAPTPOLBLMNAHTT
SCHEMBL27430859 0.76 MAPT (0.52) MAPTPOLBLMNAHTT

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-1133474-A4 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2005-02-16 EP disclosed
EP-1133474-A1 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-09-19 EP disclosed
WO-2000034244-A1 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-15 WO disclosed