SCHEMBL22201548

SCHEMBL22201548

NC1CCC(Nc2nc(-c3ccncc3)nc3ccccc23)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.73
GBA1 P04062 12/20 0.70
LATS1 O95835 2/20 0.67
LATS2 Q9NRM7 2/20 0.67
PDE5A O76074 3/20 0.66
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CLK4 Q9HAZ1 2/20 0.59
MEN1 O00255 1/20 0.59
USP2 O75604 1/20 0.59
ALOX15 P16050 1/20 0.59
CYP2C19 P33261 1/20 0.59
KMT2A Q03164 1/20 0.59
HSD17B10 Q99714 1/20 0.59
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP2D6 P10635 1/20 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
SCHEMBL3460201 0.88 ACP1 (0.84) ACP1GBA1LATS1LATS2PDE5A
SCHEMBL1083972 0.87 ACP1 (0.85) ACP1GBA1LATS1LATS2PDE5A
SCHEMBL4867358 0.85 ACP1 (1.00) ACP1GBA1PDE5ACYP1A2CYP3A4
SCHEMBL3459522 0.85 CYP1A2 (0.71) ACP1GBA1LATS1LATS2PDE5A
SCHEMBL22201472 0.82 GBA1 (0.65) ACP1GBA1LATS1LATS2PDE5A
SCHEMBL26177092 0.80 LATS1 (1.00) ACP1GBA1LATS1LATS2
SCHEMBL1083845 0.80 ACP1 (1.00) ACP1GBA1LATS1LATS2PDE5A
SCHEMBL3459452 0.80 GBA1 (0.84) ACP1GBA1LATS1LATS2PDE5A
SCHEMBL3459470 0.80 GBA1 (0.84) ACP1GBA1LATS1LATS2PDE5A
SCHEMBL18353959 0.80 GBA1 (1.00) ACP1GBA1POLBSMN1; SMN2

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