SCHEMBL13063853

SCHEMBL13063853

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.38
WDR5 P61964 1/20 0.35
CCR4 P51679 2/20 0.34
ACLY P53396 1/20 0.34
MAP2K1 Q02750 2/20 0.34
BRD4 O60885 3/20 0.33
TP53 P04637 2/20 0.33
GLA P06280 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ADRA2B P18089 2/20 0.33
SLC22A1 O15245 1/20 0.33
ABCC4 O15439 1/20 0.33
KDM1A O60341 1/20 0.33
NR1I2 O75469 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
TOP1 P11387 1/20 0.33
TOP2A P11388 1/20 0.33

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
SCHEMBL13063827 0.90 LMNA (0.39) SRCWDR5CCR4MAP2K1BRD4
SCHEMBL13063540 0.89 SRC (0.37) SRCWDR5CCR4MAP2K1TP53
SCHEMBL3804823 0.88 ADRA2A (0.36) SRCWDR5CCR4MAP2K1ADRA2B
SCHEMBL13063861 0.88 MAP2K1 (0.48) MAP2K1HSD17B10MAPTKMT2AKDM4E
SCHEMBL13063568 0.87 MAP2K1 (0.46) MAP2K1
SCHEMBL3809160 0.86 LRRK2 (0.35) SRCWDR5CCR4MAP2K1HSD17B10
SCHEMBL3804582 0.86 MAP2K1 (0.42) MAP2K1TP53TSHRMAPTKMT2A
SCHEMBL13063542 0.85 SRC (0.36) SRCWDR5CCR4MAP2K1BRD4
SCHEMBL13063539 0.85 SRC (0.35) SRCCCR4MAPTALDH1A1RAD52
SCHEMBL3801437 0.85 ALDH1A1 (0.44) TP53MAPTKMT2AMEN1ALDH1A1

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