SCHEMBL22201549

SCHEMBL22201549

CNc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.82
HPGD P15428 4/20 0.82
ALDH1A1 P00352 3/20 0.82
SMN1; SMN2 Q16637 2/20 0.82
POLB P06746 2/20 0.82
PDE5A O76074 2/20 0.82
RXFP1 Q9HBX9 1/20 0.81
TGFBR1 P36897 1/20 0.77
MAPK14 Q16539 1/20 0.77
ABCG2 Q9UNQ0 9/20 0.76
MEN1 O00255 4/20 0.75
KMT2A Q03164 4/20 0.75
ABCC1 P33527 1/20 0.75
ABCB1 P08183 2/20 0.73
LMNA P02545 4/20 0.67
MAPT P10636 3/20 0.67
TP53 P04637 2/20 0.67
LATS1 O95835 1/20 0.67
USP2 O75604 1/20 0.67
CYP1A2 P05177 1/20 0.67

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
SCHEMBL3460305 0.90 ALDH1A1 (0.94) KDM4EHPGDALDH1A1SMN1; SMN2POLB
SCHEMBL14262837 0.90 KDM4E (0.94) KDM4EHPGDALDH1A1SMN1; SMN2POLB
SCHEMBL7434986 0.90 ALDH1A1 (1.00) KDM4EHPGDALDH1A1SMN1; SMN2POLB
SCHEMBL1083796 0.89 KDM4E (1.00) KDM4EHPGDALDH1A1SMN1; SMN2POLB
SCHEMBL22201578 0.89 HPGD (0.86) KDM4EHPGDALDH1A1SMN1; SMN2POLB
SCHEMBL22201668 0.88 KDM4E (0.84) KDM4EHPGDALDH1A1SMN1; SMN2POLB
SCHEMBL412953 0.87 TGFBR1 (1.00) KDM4EHPGDALDH1A1SMN1; SMN2POLB
SCHEMBL31061048 0.87 TGFBR1 (1.00) KDM4EHPGDALDH1A1SMN1; SMN2POLB
SCHEMBL1083998 0.86 ABCG2 (0.84) KDM4EHPGDALDH1A1SMN1; SMN2POLB
SCHEMBL1083764 0.86 ABCG2 (1.00) KDM4EHPGDALDH1A1SMN1; SMN2POLB

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