SCHEMBL6138096

SCHEMBL6138096

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.38
MAP2K2 P36507 14/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IDO1 P14902 2/20 0.34
PIM1 P11309 1/20 0.33
CAMK2B Q13554 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
SCHEMBL6137834 0.90 MEN1 (0.41) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL6138038 0.86 MEN1 (0.35) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL6138160 0.83 IDO1 (0.38) MAP2K1IDO1
SCHEMBL6137966 0.82 MEN1 (0.35) MEN1KMT2ATDP1IDO1
SCHEMBL6138143 0.77 KMT2A (0.34) MEN1KMT2ATDP1IDO1
SCHEMBL6138051 0.77 IDO1 (0.34) MEN1KMT2ATDP1IDO1
SCHEMBL6137953 0.74 MAP2K1 (0.41) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL6138006 0.74 MAP2K1 (0.41) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL6137941 0.72 MAP2K1 (0.39) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL6137786 0.72 NOTUM (0.43) MAP2K1MAP2K2MEN1KMT2ATDP1

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