SCHEMBL6438484

SCHEMBL6438484

CCN(CC)CCCNC(=O)c1cccc(F)c1Nc1ccc(I)cc1C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 5/20 0.47
MAP2K2 P36507 4/20 0.47
APP P05067 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
METAP2 P50579 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RAD52 P43351 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38

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
SCHEMBL6951788 0.94 MAP2K2 (0.46) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL27583296 0.87 MAP2K1 (0.61) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL6035748 0.83 MAP2K1 (0.44) MAP2K1MAP2K2APPALDH1A1
SCHEMBL27469368 0.80 MEN1 (0.51) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL6036183 0.79 ALDH1A1 (0.46) MAP2K1MAP2K2APPMEN1KMT2A
SCHEMBL27508573 0.79 MEN1 (0.47) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL27563907 0.79 SMN1; SMN2 (0.56) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL6441683 0.78 CXCL8 (0.48) MAP2K1MAP2K2ALDH1A1KDM4EHPGD
SCHEMBL6035363 0.78 MAP2K1 (0.64) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL6035301 0.77 MAP2K1 (0.71) 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-1140291-B1 COMBINATION CHEMOTHERAPY COMPRISING A MITOTIC INHIBITOR AND A MEK INHIBITOR WARNER LAMBERT CO (US) 2005-11-23 EP disclosed