SCHEMBL28879183

SCHEMBL28879183

CCOC(=O)c1ccnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 10/20 0.55
SYK P43405 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
PIK3CA P42336 1/20 0.44
KDM2B Q8NHM5 1/20 0.43
KDM4C Q9H3R0 1/20 0.43

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
SCHEMBL4764458 0.90 JMJD6 (0.55) JMJD6SYKALDH1A1GAAL3MBTL1
SCHEMBL28332645 0.83 JMJD6 (0.59) JMJD6ALDH1A1MAPTPIK3CAKDM4C
SCHEMBL28332640 0.82 JMJD6 (0.61) JMJD6MAPTPIK3CAKDM4C
SCHEMBL30171421 0.82 JMJD6 (0.76) JMJD6PIK3CAKDM4C
SCHEMBL811785 0.82 JMJD6 (0.76) JMJD6PIK3CAKDM4C
SCHEMBL4770697 0.80 JMJD6 (0.59) JMJD6ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL4763680 0.80 JMJD6 (0.67) JMJD6ALDH1A1MAPTKDM4C
SCHEMBL4763737 0.80 JMJD6 (0.61) JMJD6MAPTPIK3CAKDM4C
SCHEMBL28334795 0.79 KDM4C (0.58) JMJD6ALDH1A1MAPTKDM2BKDM4C
SCHEMBL28334801 0.79 JMJD6 (0.57) JMJD6L3MBTL1MAPTMEN1KMT2A

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-109053815-B Iridium (III) complex and preparation method and application thereof 南京工业大学 2019-12-10 CN disclosed