SCHEMBL28295939

SCHEMBL28295939

CC(=O)Nc1ccc(N2CCNCC2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
GFER P55789 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
RAD52 P43351 1/20 0.43
NISCH Q9Y2I1 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL22801980 0.81 MAPT (0.46) MAPTMEN1KMT2AALDH1A1GFER
SCHEMBL22801996 0.81 MAPT (0.46) MAPTMEN1KMT2AALDH1A1GFER
SCHEMBL24030360 0.79 SLC6A2 (0.42) HTR2AHTR2CHTR2BRAD52SLC6A2
SCHEMBL28596325 0.78 USP2 (0.49) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL1473008 0.78 USP2 (0.49) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5742221 0.78 OPRD1 (0.46) MAPTALDH1A1L3MBTL1RAD52SMN1; SMN2
SCHEMBL4040327 0.77 ALDH1A1 (0.52) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL22411659 0.77 RAD52 (0.49) MAPTKDM4EALDH1A1HTR2AHTR2C
SCHEMBL5630967 0.77 RAD52 (0.49) MAPTKDM4EALDH1A1HTR2AHTR2C
SCHEMBL25931364 0.77 RAD52 (0.49) MAPTKDM4EALDH1A1HTR2AHTR2C

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
CN-109776537-A Purinedione as WNT pathway modulators 新加坡科技研究局 2019-05-21 CN disclosed