SCHEMBL22201545

SCHEMBL22201545

c1ccc2c(Nc3cccc4[nH]ccc34)nc(-c3ccncc3)nc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.72
LMNA P02545 2/20 0.63
POLB P06746 3/20 0.60
ALDH1A1 P00352 3/20 0.60
HPGD P15428 2/20 0.60
PDE5A O76074 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TGFBR1 P36897 1/20 0.56
MAPK14 Q16539 1/20 0.56
GSK3B P49841 2/20 0.55
GSK3A P49840 1/20 0.55
ABCG2 Q9UNQ0 7/20 0.54
RXFP1 Q9HBX9 1/20 0.54
LATS1 O95835 2/20 0.52
ABCB1 P08183 1/20 0.52
AURKA O14965 1/20 0.52
SRC P12931 1/20 0.52
MEN1 O00255 1/20 0.51
ABCC1 P33527 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL1059917 0.93 ABCG2 (0.60) KDM4ELMNAALDH1A1PDE5ATGFBR1
SCHEMBL22201550 0.85 POLB (0.58) KDM4ELMNAPOLBALDH1A1HPGD
SCHEMBL22201541 0.84 KDM4E (0.72) KDM4ELMNAPOLBALDH1A1HPGD
SCHEMBL22201544 0.83 KDM4E (0.70) KDM4ELMNAPOLBALDH1A1HPGD
SCHEMBL22201542 0.80 KDM4E (0.65) KDM4ELMNAPOLBALDH1A1HPGD
SCHEMBL22201640 0.79 PRKCH (0.52) KDM4E
SCHEMBL22201678 0.78 HPGD (0.65) KDM4ELMNAPOLBALDH1A1HPGD
SCHEMBL22201341 0.78 PRKD1 (0.66) KDM4ELMNAPOLBALDH1A1HPGD
SCHEMBL22201652 0.78 LMNA (1.00) KDM4ELMNAPOLBALDH1A1HPGD
SCHEMBL22201483 0.77 LMNA (0.83) KDM4ELMNAPOLBALDH1A1HPGD

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
WO-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 WO disclosed