SCHEMBL5669647

SCHEMBL5669647

NC(=O)c1[c]ccc(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.41
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
DHODH Q02127 3/20 0.35
BACE1 P56817 1/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
IKBKE Q14164 1/20 0.34
PKMYT1 Q99640 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
ERN1 O75460 1/20 0.33
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
CRHBP P24387 1/20 0.33

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
SCHEMBL5669858 0.85 KIF11 (0.45) DHODHKDM4EPARP1
SCHEMBL3192653 0.80 BCAT2 (0.44) BCAT2DHODHIKBKBCHUKIKBKE
SCHEMBL5668595 0.77 BCAT2 (0.39) BCAT2CCNCCDK8DHODHBACE1
SCHEMBL2636302 0.74 BCAT2 (0.53) BCAT2DHODHIKBKBCHUKIKBKE
SCHEMBL2392100 0.74 KIF11 (0.36) BACE1ALDH1A1TSHRTACR1
SCHEMBL2832469 0.73 BCAT2 (0.62) BCAT2DHODHIKBKBCHUKIKBKE
SCHEMBL2856090 0.73 IKBKB (0.45) BCAT2BACE1IKBKBALDH1A1KDM4E
SCHEMBL10565086 0.72 KIF11 (0.39) BACE1ALDH1A1TSHR
SCHEMBL27967445 0.71 BCAT2 (0.42) BCAT2CCNCCDK8DHODHBACE1
SCHEMBL4638609 0.70 BCAT2 (0.44) BCAT2DHODHIKBKBCHUKIKBKE

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-1653968-A4 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS SYNTA PHARMACEUTICALS CORP (US) 2006-09-06 EP disclosed
EP-1653968-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS Synta Pharmaceuticals Corporation (US) 2006-05-10 EP disclosed
WO-2005009954-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 WO disclosed