SCHEMBL22201303

SCHEMBL22201303

c1ccc2c(Nc3ccc4cnoc4c3)nc(-c3cncs3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.46
ABCG2 Q9UNQ0 13/20 0.46
ABCB1 P08183 4/20 0.45
ABCC1 P33527 2/20 0.45
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 1/20 0.43
KDM1A O60341 1/20 0.43
GBA1 P04062 1/20 0.43
TGFBR1 P36897 2/20 0.41

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
SCHEMBL22201372 0.92 PDE5A (0.46) PDE5AABCG2ABCB1ABCC1LMNA
SCHEMBL22201300 0.81 TGFBR1 (0.52) PDE5AABCG2ABCB1ABCC1LMNA
SCHEMBL22201247 0.81 GRM4 (0.50) PDE5AABCG2ABCB1ABCC1LMNA
SCHEMBL22201291 0.80 TGFBR1 (0.48) PDE5AABCG2ABCB1ABCC1LMNA
SCHEMBL22201264 0.79 ABCG2 (0.71) PDE5AABCG2ABCB1LMNAMAPT
SCHEMBL22201412 0.79 TGFBR1 (0.65) PDE5AABCG2ABCB1ABCC1LMNA
SCHEMBL22201253 0.78 PDE5A (0.47) PDE5AABCG2ABCB1ABCC1LMNA
SCHEMBL22201301 0.78 PDE5A (0.47) PDE5AABCG2ABCB1ABCC1LMNA
SCHEMBL22201407 0.78 TGFBR1 (0.60) PDE5AABCG2ABCB1ABCC1LMNA
SCHEMBL22201263 0.77 TGFBR1 (0.61) PDE5AABCG2ABCB1ABCC1LMNA

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