SCHEMBL5678316

SCHEMBL5678316

Cc1cc(I)ccc1Nc1c(F)c(F)cc(F)c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPK1 P28482 1/20 0.56
MAP2K1 Q02750 11/20 0.52
MAP2K2 P36507 5/20 0.52
GFER P55789 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
IDO1 P14902 3/20 0.46
CYP2C9 P11712 1/20 0.43
CA2 P00918 1/20 0.39

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
SCHEMBL31354762 0.88 MAP2K1 (0.67) MAP2K1MAP2K2IDO1CA2
SCHEMBL4853895 0.82 MEN1 (0.62) MEN1KMT2AMAPK1MAP2K1MAP2K2
SCHEMBL4851710 0.82 MAP2K1 (0.78) MEN1KMT2AMAP2K1MAP2K2TDP1
SCHEMBL29425477 0.82 MAP2K1 (0.78) MEN1KMT2AMAP2K1MAP2K2TDP1
SCHEMBL5989310 0.79 MEN1 (0.54) MEN1KMT2AMAPK1MAP2K1MAP2K2
SCHEMBL6035677 0.79 MAP2K1 (0.55) MEN1KMT2AMAPK1MAP2K1MAP2K2
SCHEMBL31354741 0.78 MAP2K1 (0.58) MAPK1MAP2K1MAP2K2CA2
SCHEMBL24849049 0.77 MAP2K1 (0.56) MEN1KMT2AMAPK1MAP2K1MAP2K2
SCHEMBL5872850 0.77 MAP2K1 (0.56) MEN1KMT2AMAPK1MAP2K1MAP2K2
SCHEMBL6036497 0.77 IDO1 (0.50) MEN1KMT2AMAPK1MAP2K1MAP2K2

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-7019033-B2 2-(4-bromo or 4-iodo phenylamino) benzoic acid derivatives WARNER-LAMBERT COMPANY (US) 2006-03-28 US claimed