SCHEMBL14590725

SCHEMBL14590725

Cc1cc(I)ccc1Nc1c(C(=O)O)cc([N+](=O)[O-])c(C)c1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 6/20 0.48
MAP2K2 P36507 2/20 0.48
IDO1 P14902 3/20 0.46
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
AURKA O14965 2/20 0.41
TNFRSF1A P19438 2/20 0.41
KDR P35968 1/20 0.41
MAP3K9 P80192 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.39
PRKCB P05771 1/20 0.38
SRC P12931 1/20 0.38
STK3 Q13188 1/20 0.38
AKR1C2 P52895 2/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 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
SCHEMBL14590721 0.92 MAP2K1 (0.49) MAP2K1MAP2K2IDO1KMT2AMEN1
SCHEMBL14590718 0.89 MAP2K1 (0.46) MAP2K1MAP2K2IDO1KMT2AMEN1
SCHEMBL14590729 0.89 KMT2A (0.46) MAP2K1MAP2K2IDO1KMT2AMEN1
SCHEMBL14590736 0.85 KMT2A (0.43) MAP2K1MAP2K2IDO1KMT2AMEN1
SCHEMBL6035697 0.82 IDO1 (0.56) MAP2K1MAP2K2IDO1KMT2AMEN1
SCHEMBL24849049 0.81 MAP2K1 (0.56) MAP2K1MAP2K2IDO1KMT2AMEN1
SCHEMBL5872850 0.81 MAP2K1 (0.56) MAP2K1MAP2K2IDO1KMT2AMEN1
SCHEMBL1340714 0.81 MAP2K1 (0.64) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL5989837 0.81 IDO1 (0.47) MAP2K1MAP2K2IDO1KMT2AMEN1
SCHEMBL4853895 0.80 MEN1 (0.62) MAP2K1MAP2K2IDO1KMT2AMEN1

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-7160915-B2 N-methyl-substituted benzamidazoles WARNER-LAMBERT COMPANY, LLC (US) 2007-01-09 US disclosed