SCHEMBL22201542

SCHEMBL22201542

c1ccc2c(Nc3cccc4[nH]nnc34)nc(-c3ccncc3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
LMNA P02545 2/20 0.61
POLB P06746 3/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 2/20 0.57
PDE5A O76074 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TGFBR1 P36897 1/20 0.54
MAPK14 Q16539 1/20 0.54
GSK3B P49841 2/20 0.53
GSK3A P49840 1/20 0.53
AURKA O14965 1/20 0.53
SRC P12931 1/20 0.53
ABCG2 Q9UNQ0 6/20 0.52
RXFP1 Q9HBX9 1/20 0.52
LATS1 O95835 2/20 0.50
ABCB1 P08183 1/20 0.50

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
SCHEMBL22201544 0.81 KDM4E (0.70) KDM4ELMNAPOLBALDH1A1HPGD
SCHEMBL22201545 0.80 KDM4E (0.72) KDM4ELMNAPOLBALDH1A1HPGD
SCHEMBL22201483 0.78 LMNA (0.83) KDM4ELMNAPOLBALDH1A1HPGD
SCHEMBL22201477 0.78 HPGD (0.64) KDM4ELMNAPOLBALDH1A1HPGD
SCHEMBL22201546 0.76 KDM4E (0.70) KDM4ELMNAPOLBALDH1A1HPGD
SCHEMBL22201652 0.76 LMNA (1.00) KDM4ELMNAPOLBALDH1A1HPGD
SCHEMBL22201541 0.75 KDM4E (0.72) KDM4ELMNAPOLBALDH1A1HPGD
SCHEMBL7434986 0.74 ALDH1A1 (1.00) KDM4ELMNAPOLBALDH1A1HPGD
SCHEMBL14262837 0.74 KDM4E (0.94) KDM4ELMNAPOLBALDH1A1HPGD
SCHEMBL1084045 0.73 MAPT (0.85) 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