SCHEMBL5779417

SCHEMBL5779417

N#Cc1ccc(I)c(CCNC(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETDB1 Q15047 1/20 0.42
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
CDK2 P24941 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABCB1 P08183 1/20 0.37
HPGD P15428 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
CNR1 P21554 2/20 0.36
NAMPT P43490 1/20 0.36
FFAR1 O14842 3/20 0.36
RAB9A P51151 1/20 0.36
MAP2K1 Q02750 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL17629998 0.92 NAMPT (0.42) SETDB1NOS3NOS1NOS2CDK2
SCHEMBL17629872 0.85 HSD17B10 (0.44) SETDB1NOS3NOS1NOS2KMT2A
SCHEMBL17629902 0.80 FFAR1 (0.51) FFAR1FFAR4
SCHEMBL5114440 0.79 FFAR1 (0.54) ABCB1HPGDABCG2FFAR1FFAR4
SCHEMBL5110287 0.79 P2RX7 (0.46) MAPTABCB1HPGDABCG2CNR1
SCHEMBL17672564 0.78 FFAR1 (0.46) SMN1; SMN2FFAR1FFAR4
SCHEMBL17629879 0.77 KMT2A (0.48) SETDB1KMT2AMEN1NAMPT
SCHEMBL17672822 0.76 SETDB1 (0.40) SETDB1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL3896082 0.76 MMP3 (0.44) SETDB1KMT2AMEN1SMN1; SMN2ABCB1
SCHEMBL17629927 0.76 FFAR1 (0.38) SETDB1FFAR1FFAR4

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
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP disclosed