SCHEMBL22201472

SCHEMBL22201472

c1ccc2c(NC3CCN(C4CC4)CC3)nc(-c3ccncc3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 11/20 0.65
ACP1 P24666 3/20 0.64
PDE5A O76074 3/20 0.62
TLR7 Q9NYK1 1/20 0.61
LMNA P02545 2/20 0.60
MAPT P10636 2/20 0.60
KMT2A Q03164 2/20 0.60
NTSR1 P30989 1/20 0.60
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
LATS1 O95835 2/20 0.59
LATS2 Q9NRM7 2/20 0.59
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
CYP1A2 P05177 1/20 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
SCHEMBL3460201 0.85 ACP1 (0.84) GBA1ACP1PDE5AKMT2ALATS1
SCHEMBL1083972 0.84 ACP1 (0.85) GBA1ACP1PDE5AKMT2ALATS1
SCHEMBL22201548 0.82 ACP1 (0.73) GBA1ACP1PDE5AKMT2ALATS1
SCHEMBL3459522 0.82 CYP1A2 (0.71) GBA1ACP1PDE5ALMNAMAPT
SCHEMBL4867358 0.79 ACP1 (1.00) GBA1ACP1PDE5ALMNAMAPT
SCHEMBL15977158 0.78 SMN1; SMN2 (0.60) GBA1ACP1PDE5ALMNAMAPT
SCHEMBL3459788 0.78 GBA1 (0.57) GBA1ACP1PDE5ALMNAMAPT
SCHEMBL1083845 0.77 ACP1 (1.00) GBA1ACP1PDE5ATLR7LMNA
SCHEMBL3459470 0.77 GBA1 (0.84) GBA1ACP1PDE5ALATS1LATS2
SCHEMBL3459452 0.77 GBA1 (0.84) GBA1ACP1PDE5ALATS1LATS2

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