SCHEMBL3801437

SCHEMBL3801437

COc1cc(=O)n(C)c(Nc2ccc(I)cc2Cl)c1NS(=O)(=O)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.40
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.39
CCR2 P41597 4/20 0.38
LRRK2 Q5S007 1/20 0.38
BRAF P15056 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 2/20 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
SCHEMBL3801316 0.89 MAP2K1 (0.45) ALDH1A1SMN1; SMN2KMT2AMAPTTP53
SCHEMBL13063861 0.85 MAP2K1 (0.48) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL13063853 0.85 SRC (0.38) ALDH1A1SMN1; SMN2KMT2AMAPTTP53
SCHEMBL3803390 0.84 MAP2K1 (0.35) ALDH1A1SMN1; SMN2KMT2AMAPTTP53
SCHEMBL13063827 0.83 LMNA (0.39) ALDH1A1TP53LMNA
SCHEMBL13063540 0.82 SRC (0.37) KMT2AMAPTTP53LMNA
SCHEMBL3804582 0.81 MAP2K1 (0.42) ALDH1A1SMN1; SMN2KMT2AMAPTTP53
SCHEMBL3804823 0.81 ADRA2A (0.36) BRAF
SCHEMBL3809160 0.80 LRRK2 (0.35) LMNALRRK2
SCHEMBL13063542 0.79 SRC (0.36) MAPTBRAF

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
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
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