SCHEMBL8439769

SCHEMBL8439769

CC(=O)Oc1ncc(I)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
F2 P00734 1/20 0.34
GLA P06280 1/20 0.34
PREP P48147 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
CYP3A4 P08684 3/20 0.31
KDM4E B2RXH2 3/20 0.31
ESR1 P03372 2/20 0.31
TSHR P16473 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ELANE P08246 1/20 0.31
TNFSF11 O14788 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
HMGB1 P09429 1/20 0.31
GGT1 P19440 1/20 0.31

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
SCHEMBL28808109 0.80 CYP3A4 (0.39) LMNAALDH1A1HPGDF2GLA
SCHEMBL28048189 0.78 CYP19A1 (0.36) LMNAALDH1A1HPGDF2GLA
SCHEMBL29178970 0.78 MEN1 (0.34) MEN1KMT2A
SCHEMBL27080876 0.78 ALDH1A1 (0.36) LMNAALDH1A1HPGDF2GLA
SCHEMBL1291212 0.75 KDM4E (0.43) LMNAALDH1A1HPGDF2GLA
SCHEMBL28048187 0.74 POLB (0.40) LMNAALDH1A1POLBMAPTPKM
SCHEMBL6677424 0.73 LMNA (0.37) LMNAALDH1A1HPGDF2GLA
SCHEMBL12471969 0.71 LMNA (0.35) LMNAALDH1A1HPGDF2GLA
Methylamine SCHEMBL536416 0.71 KDM4E (0.41) LMNAALDH1A1HPGDF2GLA
SCHEMBL1830067 0.68 LMNA (0.34) LMNAALDH1A1HPGDF2GLA

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
JP-11193274-A None JP disclosed
JP-H11193274-A DISCOTIC LIQUID CRYSTAL COMPOUND FUJI PHOTO FILM CO LTD 1999-07-21 JP disclosed