SCHEMBL13063815

SCHEMBL13063815

Cc1cc(NS(=O)(=O)C2CC2)c(Nc2ccc(F)cc2F)n(C)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.54
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 2/20 0.41
BRD4 O60885 3/20 0.41
BRAF P15056 1/20 0.40
PTGS2 P35354 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MRGPRX1 Q96LB2 4/20 0.38
TSPO P30536 1/20 0.38
HRH1 P35367 1/20 0.38
MAP2K2 P36507 1/20 0.38
MAP2K5 Q13163 1/20 0.38
EIF2AK1 Q9BQI3 1/20 0.38
KMT2A Q03164 1/20 0.38
KIT P10721 1/20 0.37
ABL1 P00519 1/20 0.37
POLB P06746 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 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
SCHEMBL4134490 0.91 MAP2K1 (0.54) MAP2K1TSHRHSD17B10BRD4BRAF
SCHEMBL2701377 0.89 MAP2K1 (0.68) MAP2K1BRAFMAP2K2MAP2K5EIF2AK1
SCHEMBL13063766 0.89 MAP2K1 (0.52) MAP2K1TSHRBRAFMAP2K2MAP2K5
SCHEMBL3806030 0.85 MAP2K1 (0.66) MAP2K1BRD4BRAFMAP2K2MAP2K5
SCHEMBL3803502 0.85 MAP2K1 (0.66) MAP2K1BRAFMAP2K2MAP2K5EIF2AK1
SCHEMBL3803495 0.83 MAP2K1 (0.48) MAP2K1TSHRHSD17B10TP53BRD4
SCHEMBL486695 0.80 MAP2K1 (0.57) MAP2K1BRAFMAP2K2MAP2K5EIF2AK1
SCHEMBL3808726 0.79 MAP2K1 (0.58) MAP2K1TSHRHSD17B10PTGS2MAP2K2
SCHEMBL3811677 0.79 MAP2K1 (0.41) MAP2K1TP53BRD4BRAFSMN1; SMN2
SCHEMBL15579607 0.78 MAP2K1 (0.54) MAP2K1BRAFMAP2K2MAP2K5EIF2AK1

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