SCHEMBL8978058

SCHEMBL8978058

COCCOCCOCCOc1c(I)cc(I)c(C(N)=O)c1I

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.39
BPTF Q12830 1/20 0.38
MAP2K2 P36507 1/20 0.33
MAP2K1 Q02750 1/20 0.33
TNFRSF1A P19438 1/20 0.32
KCNA3 P22001 1/20 0.32
ICAM1 P05362 2/20 0.32
SELE P16581 2/20 0.32
CHEK2 O96017 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IKBKB O14920 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8412359 0.77 MAPT (0.32) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL24982919 0.77 TSHR (0.31) ALDH1A1SMN1; SMN2
SCHEMBL22906079 0.76 ALDH1A1 (0.33) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL22897394 0.76 ALDH1A1 (0.33) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL10495757 0.75 THRA (0.40) BPTFSMN1; SMN2KMT2AKDM4E
SCHEMBL22897418 0.74 ALDH1A1 (0.32) TNFRSF1AALDH1A1MEN1KMT2AMAPT
SCHEMBL22897456 0.74 ALDH1A1 (0.32) TNFRSF1AALDH1A1MEN1KMT2AMAPT
SCHEMBL10495694 0.74 THRA (0.39) BPTFSMN1; SMN2KMT2AKDM4E
SCHEMBL10495702 0.72 BPTF (0.35) BPTF
SCHEMBL10495773 0.72 ALDH1A1 (0.41) BPTFALDH1A1SMN1; SMN2L3MBTL1KDM4E

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-0707572-A1 IODINATED OLIGOMERIC COMPOUNDS AND DIAGNOSTIC COMPOSITIONS CONTAINING THE SAME BRACCO S.p.A. (IT) 1996-04-24 EP disclosed