SCHEMBL8512850

SCHEMBL8512850

CCOC(=O)c1c(-c2ccc(I)cc2)[nH]c2ccccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 4/20 0.56
LMNA P02545 4/20 0.56
KDM4E B2RXH2 3/20 0.56
MAPT P10636 3/20 0.56
HSD17B10 Q99714 2/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
MAPK10 P53779 1/20 0.56
NPC1 O15118 1/20 0.53
ALOX5 P09917 3/20 0.51
ADORA3 P0DMS8 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HCRTR1 O43613 1/20 0.49
RAB9A P51151 1/20 0.49
TSHR P16473 2/20 0.48
PTGES O14684 1/20 0.48
HTR6 P50406 1/20 0.46

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
SCHEMBL6300719 0.91 ALDH1A1 (0.67) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL8515925 0.88 ALOX5 (0.64) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL3555503 0.84 AR (0.58) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL8512448 0.83 KMT2A (0.50) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL19846945 0.82 KDM4E (0.58) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL30482846 0.81 ALDH1A1 (0.76) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL8512623 0.80 NPC1 (0.47) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL22877728 0.80 KDM4E (0.50) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL14710592 0.79 MAPT (0.62) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL6295725 0.78 CSF1R (0.71) MEN1KMT2AALDH1A1LMNAKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO claimed
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed