SCHEMBL8913601

SCHEMBL8913601

O=C(O)c1cn(CCO)c2cc(I)ccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAP2K2 P36507 1/20 0.41
MAP2K1 Q02750 1/20 0.41
MEN1 O00255 1/20 0.40
ABCC4 O15439 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM1 P11229 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL8913596 0.87 LMNA (0.40) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4149301 0.85 KDM4E (0.57) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7124395 0.83 LMNA (0.51) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7131581 0.82 LMNA (0.44) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29874516 0.80 LMNA (0.69) LMNAKDM4ECHRM1
SCHEMBL7127566 0.79 LMNA (0.56) LMNACHRM1PTPN1
SCHEMBL4157847 0.77 KDM4E (0.55) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7127093 0.76 KDM4E (0.42) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27789854 0.75 CNR2 (0.59) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3767466 0.74 KDM4E (0.51) LMNAALDH1A1KDM4EHPGDHSD17B10

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
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 EP disclosed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 WO disclosed