SCHEMBL25004693

SCHEMBL25004693

Cc1cc(Nc2ccc(CCN)cc2)c([N+](=O)[O-])c(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
LMNA P02545 5/20 0.46
TDP1 Q9NUW8 4/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 5/20 0.44
POLB P06746 1/20 0.44
HTT P42858 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
JAK2 O60674 1/20 0.44
MITF O75030 1/20 0.44
PAX8 Q06710 1/20 0.44
MAPK1 P28482 1/20 0.43
IGF1R P08069 1/20 0.41
BPTF Q12830 2/20 0.41
KAT2B Q92831 2/20 0.41
BRD9 Q9H8M2 2/20 0.41
BRD4 O60885 1/20 0.41
KAT2A Q92830 1/20 0.41
CECR2 Q9BXF3 1/20 0.41

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
SCHEMBL1625301 0.88 MAPT (0.46) MAPTL3MBTL1LMNATDP1GAA
SCHEMBL25003640 0.86 MAPT (0.45) MAPTL3MBTL1LMNATDP1GAA
Hydrochloric Acid SCHEMBL23089681 0.86 MAPT (0.45) MAPTL3MBTL1LMNATDP1GAA
SCHEMBL29280753 0.83 MAPT (0.45) MAPTL3MBTL1LMNATDP1GAA
SCHEMBL31026401 0.82 MAPT (0.45) MAPTL3MBTL1LMNATDP1GAA
SCHEMBL25003855 0.81 IGF1R (0.46) L3MBTL1KMT2APOLBIGF1RBPTF
SCHEMBL30810306 0.78 IGF1R (0.51) MAPTL3MBTL1LMNATDP1GAA
SCHEMBL25004233 0.78 IGF1R (0.51) MAPTL3MBTL1LMNATDP1GAA
SCHEMBL9726900 0.77 MERTK (0.51) MAPTL3MBTL1LMNATDP1GAA
SCHEMBL29280741 0.75 MAPT (0.42) MAPTL3MBTL1LMNATDP1GAA

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-2023012820-A1 A PROCESS FOR THE PREPARATION OF GRAPIPRANT AND ITS INTERMEDIATES ZENFOLD SUSTAINABLE TECHNOLOGIES PRIVATE LIMITED (IN) 2023-02-09 WO disclosed