SCHEMBL6138038

SCHEMBL6138038

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
IDO1 P14902 3/20 0.33
MAP2K2 P36507 1/20 0.33
MAP2K1 Q02750 1/20 0.33
MAPK1 P28482 1/20 0.31

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
SCHEMBL6137834 0.90 MEN1 (0.41) MEN1KMT2ATDP1IDO1MAP2K2
SCHEMBL6137966 0.87 MEN1 (0.35) MEN1KMT2ATDP1IDO1
SCHEMBL6138096 0.86 MAP2K1 (0.38) MEN1KMT2ATDP1IDO1MAP2K2
SCHEMBL6138160 0.79 IDO1 (0.38) IDO1MAP2K1
SCHEMBL6138051 0.76 IDO1 (0.34) MEN1KMT2ATDP1IDO1
SCHEMBL6137979 0.75 MEN1 (0.37) MEN1KMT2ATDP1IDO1MAP2K2
SCHEMBL6137685 0.75 MEN1 (0.37) MEN1KMT2ATDP1IDO1MAP2K2
SCHEMBL6138186 0.75 MAP2K1 (0.37) MAP2K2MAP2K1
SCHEMBL6138143 0.74 KMT2A (0.34) MEN1KMT2ATDP1IDO1MAPK1
SCHEMBL6138141 0.73 MEN1 (0.36) MEN1KMT2ATDP1IDO1MAP2K2

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