SCHEMBL3801316

SCHEMBL3801316

COc1cc(=O)n(C)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 5/20 0.45
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 3/20 0.41
MAPT P10636 1/20 0.41
CHEK1 O14757 1/20 0.40
MAP2K2 P36507 1/20 0.40
MAPK10 P53779 1/20 0.40
PRKAG1 P54619 1/20 0.40
ADCK1 Q86TW2 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.39
BRD4 O60885 1/20 0.38
POLB P06746 1/20 0.36
CCR2 P41597 1/20 0.36
LRRK2 Q5S007 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
SCHEMBL3801437 0.89 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KMT2AMAPTTP53
SCHEMBL3804902 0.85 MAP2K1 (0.62) MAP2K1ALDH1A1KMT2ACHEK1MAP2K2
SCHEMBL13063568 0.85 MAP2K1 (0.46) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL3809196 0.84 MAP2K1 (0.47) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL13063574 0.83 MAP2K1 (0.52) MAP2K1ALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL3800540 0.83 MAP2K1 (0.45) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL13063812 0.83 MAP2K1 (0.38) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL3804513 0.82 MAP2K1 (0.44) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL13063589 0.81 MAP2K1 (0.43) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL3807711 0.81 MAP2K1 (0.43) MAP2K1CHEK1MAP2K2MAPK10PRKAG1

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