SCHEMBL7164337

SCHEMBL7164337

O=C(NO)c1ccc(Sc2cccc([N+](=O)[O-])c2)c(F)c1Nc1ccc(I)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 6/20 0.46
MAP2K2 P36507 3/20 0.42
RAF1 P04049 1/20 0.42
PDGFRB P09619 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
AURKC Q9UQB9 1/20 0.42
CAMK2A Q9UQM7 1/20 0.42
PDE7A Q13946 2/20 0.40
RORC P51449 1/20 0.37
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35

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
SCHEMBL7160059 0.81 MAP2K1 (0.46) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6948491 0.77 MAP2K1 (0.47) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL5384280 0.75 KMT2A (0.47) MAP2K1RORCMAPTLMNARAB9A
SCHEMBL5396229 0.75 MAP2K1 (0.77) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6944261 0.72 MAP2K1 (0.49) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL5382341 0.71 MAP2K1 (0.60) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL5396163 0.71 MAP2K1 (0.62) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6948744 0.70 MAP2K1 (0.54) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6952084 0.70 MAP2K1 (0.47) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7853481 0.70 MAP2K1 (0.44) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2

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
US-6506798-B1 4-Arylamino, 4-aryloxy, and 4-arylthio diarylamines and derivatives thereof as selective MEK inhibitors WARNER-LAMBERT COMPANY 2003-01-14 US disclosed