SCHEMBL5872928

SCHEMBL5872928

Cc1cc(I)ccc1Nc1c(C(=O)NCCC2CCCN2C)cc(C(=O)O)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
METAP2 P50579 3/20 0.45
ACKR3 P25106 3/20 0.43
MAP2K1 Q02750 4/20 0.40
MAP2K2 P36507 3/20 0.40
EED O75530 1/20 0.40
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
POLR1A O95602 1/20 0.38
CHRM3 P20309 3/20 0.38
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL5872926 0.97 MEN1 (0.47) MEN1KMT2ATDP1METAP2ACKR3
SCHEMBL5872807 0.81 MEN1 (0.48) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL5872796 0.81 KMT2A (0.51) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL5872846 0.80 KMT2A (0.49) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL5872920 0.80 RAB9A (0.49) MEN1KMT2ATDP1
SCHEMBL5872762 0.78 MEN1 (0.53) MEN1KMT2ATDP1
SCHEMBL5872804 0.78 BCL3 (0.47) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL5872850 0.77 MAP2K1 (0.56) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL5872844 0.77 KMT2A (0.47) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL5872795 0.77 KMT2A (0.49) MEN1KMT2ATDP1MAP2K1MAP2K2

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-7001905-B2 Substituted diarylamines as MEK inhibitors WARNER-LAMBERT COMPANY (US) 2006-02-21 US disclosed