SCHEMBL13063574

SCHEMBL13063574

COc1cc(=O)n(C)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 9/20 0.52
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.41
MAP2K2 P36507 3/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CHEK1 O14757 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
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
HTR6 P50406 1/20 0.38
KMT2A Q03164 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL3804902 0.92 MAP2K1 (0.62) MAP2K1ALDH1A1MAP2K2CHEK1MAPK10
SCHEMBL3804582 0.90 MAP2K1 (0.42) MAP2K1ALDH1A1KDM4ETP53POLB
SCHEMBL3809218 0.88 ALOX15 (0.42) MAP2K1ALDH1A1KDM4ETP53POLB
SCHEMBL13063568 0.88 MAP2K1 (0.46) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL3809196 0.87 MAP2K1 (0.47) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL3800540 0.86 MAP2K1 (0.45) MAP2K1MAP2K2LMNACHEK1MAPK10
SCHEMBL3804513 0.85 MAP2K1 (0.44) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL13063589 0.84 MAP2K1 (0.43) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL3807711 0.84 MAP2K1 (0.43) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL13063857 0.83 MAP2K1 (0.43) MAP2K1MAP2K2CHEK1MAPK10PRKAG1

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