SCHEMBL27940786

SCHEMBL27940786

NC(=O)c1cccc(C(N)=O)c1-c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.47
JAK2 O60674 2/20 0.47
MEN1 O00255 1/20 0.47
EIF2AK2 P19525 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
CHUK O15111 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
AGTR1 P30556 1/20 0.44
PARP1 P09874 1/20 0.42
BCAT2 O15382 1/20 0.42
AURKA O14965 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL5616609 0.91 TTR (0.49) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL28202986 0.89 IKBKB (0.47) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL28186096 0.88 IKBKB (0.42) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL30370009 0.84 BCAT2 (0.57) IKBKBKEAP1NFE2L2CHUKPARP1
SCHEMBL27940758 0.82 PARP1 (0.46) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL28202981 0.82 TSHR (0.42) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL27704997 0.82 BCAT2 (0.59) IKBKBKEAP1NFE2L2PARP1BCAT2
SCHEMBL9746985 0.82 PARP1 (0.51) IKBKBTDP1KEAP1NFE2L2CYP3A4
SCHEMBL27214460 0.81 BCAT2 (0.63) IKBKBJAK2TDP1KEAP1NFE2L2
SCHEMBL27940776 0.81 PARP1 (0.53) JAK2KEAP1NFE2L2PARP1BCAT2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103373939-A 4-methoxy-N, N'-bisubstituted phenyl-1, 3-benzene diamide compounds as well as preparation method and application thereof UNIV TIANJIN TECHNOLOGY 2013-10-30 CN claimed
CN-103373939-A 4-methoxy-N, N'-bisubstituted phenyl-1, 3-benzene diamide compounds as well as preparation method and application thereof UNIV TIANJIN TECHNOLOGY 2013-10-30 CN disclosed