SCHEMBL22201473

SCHEMBL22201473

NS(=O)(=O)CCCNc1nc(-c2ccncc2)nc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
MAPK1 P28482 3/20 0.63
PDE5A O76074 4/20 0.59
PTGS1 P23219 1/20 0.59
TBXAS1 P24557 1/20 0.59
PTGS2 P35354 1/20 0.59
ACP1 P24666 1/20 0.57
GBA1 P04062 1/20 0.56
LATS1 O95835 6/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TSHR P16473 1/20 0.56
POLB P06746 2/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.55
LATS2 Q9NRM7 3/20 0.55
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
ALDH1A1 P00352 2/20 0.53

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
SCHEMBL22201480 0.88 LATS1 (0.68) KDM4EMAPK1PDE5APTGS1TBXAS1
SCHEMBL3459768 0.82 PDE5A (0.76) KDM4EMAPK1PDE5APTGS1TBXAS1
SCHEMBL6698790 0.81 LATS1 (0.76) KDM4EMAPK1PDE5APTGS1TBXAS1
SCHEMBL7606590 0.81 KDM4E (0.62) KDM4EMAPK1PDE5APTGS1TBXAS1
SCHEMBL3459468 0.79 MAPK1 (0.82) KDM4EMAPK1PDE5APTGS1TBXAS1
SCHEMBL22201643 0.78 KDM4E (1.00) KDM4EMAPK1PDE5APTGS1TBXAS1
SCHEMBL3460899 0.76 TLR9 (0.81) KDM4EMAPK1PDE5APTGS1TBXAS1
SCHEMBL7277479 0.75 PDE5A (1.00) KDM4EMAPK1PDE5APTGS1TBXAS1
SCHEMBL22201478 0.74 GBA1 (0.77) KDM4EMAPK1PDE5APTGS1TBXAS1
SCHEMBL4864234 0.73 ACP1 (1.00) MAPK1PDE5AACP1GBA1LATS1

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