SCHEMBL22201643

SCHEMBL22201643

c1ccc(CCNc2nc(-c3ccncc3)nc3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 1.00
MAPK1 P28482 1/20 1.00
PDE5A O76074 8/20 0.84
PTGS1 P23219 1/20 0.76
TBXAS1 P24557 1/20 0.76
PTGS2 P35354 1/20 0.76
GBA1 P04062 8/20 0.75
SLC6A3 Q01959 2/20 0.70
KMT2A Q03164 2/20 0.67
JAK2 O60674 1/20 0.67
METAP1 P53582 1/20 0.67
PPP1CA P62136 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
MEN1 O00255 1/20 0.62
ATM Q13315 1/20 0.62
APP P05067 2/20 0.60
ALDH1A1 P00352 2/20 0.60
POLB P06746 2/20 0.60
HPGD P15428 1/20 0.60

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
SCHEMBL1085431 0.92 PDE5A (1.00) KDM4EMAPK1PDE5AGBA1SLC6A3
SCHEMBL7277479 0.86 PDE5A (1.00) KDM4EMAPK1PDE5APTGS1TBXAS1
SCHEMBL7278036 0.86 GBA1 (1.00) KDM4EMAPK1PDE5APTGS1TBXAS1
SCHEMBL4868215 0.85 PDE5A (0.82) KDM4EMAPK1PDE5AGBA1SLC6A3
SCHEMBL3459468 0.85 MAPK1 (0.82) KDM4EMAPK1PDE5APTGS1TBXAS1
SCHEMBL6698790 0.85 LATS1 (0.76) KDM4EMAPK1PDE5APTGS1TBXAS1
SCHEMBL22201478 0.85 GBA1 (0.77) KDM4EMAPK1PDE5APTGS1TBXAS1
SCHEMBL22620817 0.84 KDM4E (0.72) KDM4EMAPK1PDE5APTGS1TBXAS1
SCHEMBL5138849 0.83 PDE5A (0.82) KDM4EMAPK1PDE5AGBA1SLC6A3
SCHEMBL4867362 0.83 PDE5A (0.82) KDM4EMAPK1PDE5AGBA1SLC6A3

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