SCHEMBL13063539

SCHEMBL13063539

CCCCS(=O)(=O)Nc1c(OC)cc(=O)n(C)c1Nc1ccc(I)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.35
MAPT P10636 1/20 0.34
KDR P35968 1/20 0.34
BRAF P15056 3/20 0.33
RAD52 P43351 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
CCR4 P51679 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL13063542 0.93 SRC (0.36) SRCMAPTBRAFRAD52NCOA3
SCHEMBL13063827 0.91 LMNA (0.39) SRCCCR4ALDH1A1
SCHEMBL3806994 0.89 MAP2K1 (0.42)
SCHEMBL13063540 0.89 SRC (0.37) SRCMAPTCCR4
SCHEMBL3809160 0.86 LRRK2 (0.35) SRCCCR4
SCHEMBL13063853 0.85 SRC (0.38) SRCMAPTRAD52CCR4ALDH1A1
SCHEMBL13063846 0.83 MAP2K1 (0.41)
SCHEMBL3804823 0.82 ADRA2A (0.36) SRCBRAFCCR4
SCHEMBL13063861 0.82 MAP2K1 (0.48) MAPTALDH1A1
SCHEMBL3804582 0.80 MAP2K1 (0.42) MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010145197-A1 NOVEL 6-ARYLAMINO PYRIDONE SULFONAMIDES AND 6-ARYLAMINO PYRAZINONE SULFONAMDIES AS MEK INHIBITORS CHEMIZON (BEIJING), LTD. (CN) 2010-12-23 WO disclosed