SCHEMBL22201644

SCHEMBL22201644

N#CCNc1nc(-c2ccncc2)nc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.67
PTGS1 P23219 1/20 0.67
TBXAS1 P24557 1/20 0.67
PTGS2 P35354 1/20 0.67
KDM4E B2RXH2 4/20 0.64
MAPK1 P28482 1/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
TSHR P16473 1/20 0.62
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 2/20 0.60
POLB P06746 1/20 0.60
ACP1 P24666 2/20 0.59
RXFP1 Q9HBX9 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.57
TGFBR1 P36897 1/20 0.57
MAPK14 Q16539 1/20 0.57
GBA1 P04062 2/20 0.56
SLC6A3 Q01959 1/20 0.55

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
SCHEMBL7277479 0.81 PDE5A (1.00) PDE5APTGS1TBXAS1PTGS2KDM4E
SCHEMBL3459468 0.80 MAPK1 (0.82) PDE5APTGS1TBXAS1PTGS2KDM4E
SCHEMBL6698790 0.80 LATS1 (0.76) PDE5APTGS1TBXAS1PTGS2KDM4E
SCHEMBL3460899 0.79 TLR9 (0.81) PDE5APTGS1TBXAS1PTGS2KDM4E
SCHEMBL3460213 0.79 ACP1 (0.71) PDE5APTGS1TBXAS1PTGS2KDM4E
SCHEMBL17799806 0.78 SLC6A3 (0.77) PDE5APTGS1TBXAS1PTGS2KDM4E
SCHEMBL22201643 0.78 KDM4E (1.00) PDE5APTGS1TBXAS1PTGS2KDM4E
SCHEMBL13252155 0.78 PDE5A (0.83) PDE5APTGS1TBXAS1PTGS2KDM4E
SCHEMBL1062736 0.78 PDE5A (0.89) PDE5APTGS1TBXAS1PTGS2KDM4E
SCHEMBL3459768 0.77 PDE5A (0.76) PDE5APTGS1TBXAS1PTGS2KDM4E

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