SCHEMBL7718378

SCHEMBL7718378

COC(=O)Cn1cc(I)c(=O)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
CYP1A2 P05177 1/20 0.52
GRIA1 P42261 1/20 0.52
GRIA2 P42262 1/20 0.52
GRIA4 P48058 1/20 0.52
BLM P54132 1/20 0.52
GRIK5 Q16478 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 2/20 0.40
TYMP P19971 4/20 0.40
TK1 P04183 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 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
SCHEMBL17123686 0.83 KMT2A (0.49) KMT2ACYP1A2GRIA1GRIA2GRIA4
SCHEMBL7643586 0.82 MAPK1 (0.51) KMT2ATYMPTK1
SCHEMBL770144 0.81 KMT2A (0.60) KMT2ACYP1A2GRIA1GRIA2GRIA4
SCHEMBL4849852 0.81 GRIA1 (0.52) KMT2ACYP1A2GRIA1GRIA2GRIA4
SCHEMBL28660743 0.73 UPP1 (0.58) KMT2ACYP2C9
SCHEMBL20088133 0.72 CYP1A2 (0.57) KMT2ACYP1A2GRIA1GRIA2GRIA4
SCHEMBL21246829 0.72 SMN1; SMN2 (0.39) KMT2AHSD17B10LMNAMAPTGAA
SCHEMBL28652330 0.71 KMT2A (0.38) KMT2ALMNATK1MAPTCYP2C9
SCHEMBL667245 0.70 ALDH1A1 (0.59) KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL7213283 0.70 KMT2A (0.48) KMT2ACYP1A2GRIA1GRIA2GRIA4

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-6388061-B1 INCLUDES RUTHENIUM TRIS(BIPYRIDYL) LABEL BONDED TO THE NITROGEN BASE DAKO A/S (DK) 2002-05-14 US disclosed