SCHEMBL27802001

SCHEMBL27802001

O=C(O)c1cc([N+](=O)[O-])cc(F)c1Nc1ccc(I)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 11/20 0.58
MAP2K2 P36507 6/20 0.58
IDO1 P14902 1/20 0.55
AURKA O14965 4/20 0.46
TNFRSF1A P19438 4/20 0.46
MAP3K9 P80192 3/20 0.46
KDR P35968 2/20 0.46
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
MAPT P10636 1/20 0.45
SRC P12931 3/20 0.45
PRKCB P05771 1/20 0.45
STK3 Q13188 1/20 0.45
ABL1 P00519 2/20 0.43
LCK P06239 2/20 0.43
CLK1 P49759 2/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43

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
SCHEMBL27780724 0.87 MAP2K1 (0.46) MAP2K1MAP2K2IDO1MAPT
SCHEMBL6035244 0.85 CTSV (0.60) MAP2K1MAP2K2IDO1CTSVCTSL
SCHEMBL1340714 0.82 MAP2K1 (0.64) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL1488391 0.77 MAP2K1 (0.71) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL4860159 0.77 MAP2K1 (0.75) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL27693106 0.77 MAP2K1 (0.60) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL27801998 0.76 MAP2K1 (0.55) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL1340491 0.75 MAP2K1 (0.57) MAP2K1MAP2K2IDO1
SCHEMBL188505 0.74 MAP2K1 (1.00) MAP2K1MAP2K2IDO1
SCHEMBL30505247 0.74 MAP2K1 (1.00) MAP2K1MAP2K2IDO1

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
CN-101663279-A inhibitors of mek ARDEA BIOSCIENCES INC (US) 2010-03-03 CN disclosed