SCHEMBL22201478

SCHEMBL22201478

c1ccc(CCNc2nc(-c3ccncc3)nc3ccccc23)nc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.77
KDM4E B2RXH2 4/20 0.73
MAPK1 P28482 2/20 0.73
PDE5A O76074 8/20 0.67
PTGS1 P23219 1/20 0.62
TBXAS1 P24557 1/20 0.62
PTGS2 P35354 1/20 0.62
KMT2A Q03164 3/20 0.58
METAP1 P53582 2/20 0.58
JAK2 O60674 1/20 0.58
PPP1CA P62136 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KCNA5 P22460 1/20 0.56
KCNH2 Q12809 1/20 0.56
POLB P06746 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 2/20 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
SCHEMBL1064493 0.94 GBA1 (0.82) GBA1KDM4EMAPK1PDE5AKMT2A
SCHEMBL18354431 0.87 GBA1 (1.00) GBA1MAPK1PDE5APTGS1TBXAS1
SCHEMBL22201643 0.85 KDM4E (1.00) GBA1KDM4EMAPK1PDE5APTGS1
SCHEMBL1084100 0.81 GBA1 (0.64) GBA1KDM4EMAPK1PDE5AKMT2A
SCHEMBL1083993 0.81 GBA1 (0.64) GBA1MAPK1PDE5AKMT2AMETAP1
SCHEMBL4095086 0.81 GBA1 (0.64) GBA1KDM4EMAPK1PDE5AKMT2A
SCHEMBL1062608 0.81 PDE5A (1.00) GBA1KDM4EPDE5APTGS1TBXAS1
SCHEMBL3459468 0.81 MAPK1 (0.82) GBA1KDM4EMAPK1PDE5APTGS1
SCHEMBL6698790 0.81 LATS1 (0.76) KDM4EMAPK1PDE5APTGS1TBXAS1
SCHEMBL4237965 0.80 GBA1 (0.62) GBA1KDM4EMAPK1PDE5AKMT2A

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