SCHEMBL5779411

SCHEMBL5779411

CN(Cc1cc(C#N)ccc1I)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.41
SIGMAR1 Q99720 2/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SETDB1 Q15047 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
TTR P02766 1/20 0.36
ALB P02768 1/20 0.36
GPR35 Q9HC97 1/20 0.35
SNCA P37840 1/20 0.35
MAP2K1 Q02750 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CTBP2 P56545 1/20 0.34
HSD17B1 P14061 1/20 0.34

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
SCHEMBL5912950 0.81 ABCB1 (0.36) NSD2SETDB1
SCHEMBL5110282 0.79 HTT (0.50) NSD2SIGMAR1TMEM97NPC1POLB
SCHEMBL5114431 0.79 FFAR1 (0.48) NSD2MAP2K1
SCHEMBL5118098 0.76 NSD2 (0.63) NSD2SIGMAR1TMEM97KMT2AMEN1
SCHEMBL31721449 0.76 CYP2A6 (0.47) SETDB1KMT2AMEN1TTRALB
SCHEMBL399126 0.76 CYP2A6 (0.47) SETDB1KMT2AMEN1TTRALB
SCHEMBL5779948 0.75 ALDH1A1 (0.33) KMT2AMEN1NPC1
SCHEMBL5912952 0.74 SETDB1 (0.34) SIGMAR1TMEM97SETDB1KMT2AMEN1
SCHEMBL17629902 0.74 FFAR1 (0.51) NPSR1MMP2
SCHEMBL12505597 0.73 MEP1A (0.56) NSD2KMT2AMEN1NPC1HSD17B1

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