SCHEMBL28743095

SCHEMBL28743095

C1=CC([Zr](Oc2cccc(Nc3ccccc3)c2)(Oc2cccc(Nc3ccccc3)c2)C2C=CC=C2)C=C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
AR P10275 1/20 0.46
HSD17B10 Q99714 4/20 0.40
TSHR P16473 3/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 3/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL27536857 0.85 ALDH1A1 (0.45) MEN1KMT2AMAPTALDH1A1AR
SCHEMBL27519182 0.79 LTA4H (0.36) TSHR
SCHEMBL27547761 0.79 ALDH1A1 (0.38) MAPTALDH1A1HSD17B10TSHRMAPK1
SCHEMBL27518619 0.79 FABP7 (0.36)
SCHEMBL27571925 0.79 MAOB (0.43) MEN1KMT2AMAPTALDH1A1TSHR
Hydrochloric Acid SCHEMBL31634566 0.77 LTA4H (0.35) TSHR
SCHEMBL27545403 0.77 RAB9A (0.48) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL27536852 0.76 MAPT (0.39) MEN1KMT2AMAPTALDH1A1AR
SCHEMBL27518640 0.75 HRH1 (0.38)
SCHEMBL28742958 0.73 ACHE (0.47) MEN1KMT2AALDH1A1TDP1LMNA

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
CN-1259963-A Catalytic components for polymerization of olefins, catalyst and process for the polymerization MARUZEN PETROCHEM CO LTD (JP) 2000-07-12 CN disclosed