SCHEMBL6137834

SCHEMBL6137834

Cc1cc(I)ccc1Nc1c(C2=NOS(=O)N2)cc(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
IDO1 P14902 3/20 0.34
MAPK1 P28482 1/20 0.32
MAP2K1 Q02750 5/20 0.32
MAP2K2 P36507 2/20 0.32
TNIK Q9UKE5 1/20 0.30

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
SCHEMBL6138038 0.90 MEN1 (0.35) MEN1KMT2ATDP1IDO1MAPK1
SCHEMBL6138096 0.90 MAP2K1 (0.38) MEN1KMT2ATDP1IDO1MAP2K1
SCHEMBL6137966 0.86 MEN1 (0.35) MEN1KMT2ATDP1IDO1
SCHEMBL6138160 0.81 IDO1 (0.38) IDO1MAP2K1TNIK
SCHEMBL6138051 0.77 IDO1 (0.34) MEN1KMT2ATDP1IDO1
SCHEMBL6138143 0.77 KMT2A (0.34) MEN1KMT2ATDP1IDO1MAPK1
SCHEMBL6138186 0.75 MAP2K1 (0.37) MAP2K1MAP2K2
SCHEMBL6137809 0.74 MEN1 (0.44) MEN1KMT2ATDP1IDO1MAPK1
SCHEMBL6137935 0.74 MEN1 (0.44) MEN1KMT2ATDP1IDO1MAPK1
SCHEMBL6137917 0.72 MEN1 (0.43) MEN1KMT2ATDP1IDO1MAPK1

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
EP-1144394-B1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER LAMBERT CO (US) 2005-08-24 EP claimed