SCHEMBL25003640

SCHEMBL25003640

CNCCc1ccc(Nc2cc(C)nc(C)c2[N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
LMNA P02545 6/20 0.45
L3MBTL1 Q9Y468 5/20 0.45
TDP1 Q9NUW8 4/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 5/20 0.44
POLB P06746 1/20 0.44
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
JAK2 O60674 1/20 0.43
MITF O75030 1/20 0.43
PAX8 Q06710 1/20 0.43
IGF1R P08069 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 4/20 0.40
TP53 P04637 1/20 0.39
MEN1 O00255 2/20 0.38

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
SCHEMBL29280753 0.87 MAPT (0.45) MAPTLMNAL3MBTL1TDP1GAA
SCHEMBL1625301 0.86 MAPT (0.46) MAPTLMNAL3MBTL1TDP1GAA
SCHEMBL25004693 0.86 MAPT (0.46) MAPTLMNAL3MBTL1TDP1GAA
SCHEMBL31026401 0.86 MAPT (0.45) MAPTLMNAL3MBTL1TDP1GAA
Hydrochloric Acid SCHEMBL23089681 0.85 MAPT (0.45) MAPTLMNAL3MBTL1TDP1GAA
SCHEMBL25004233 0.81 IGF1R (0.51) MAPTLMNAL3MBTL1TDP1GAA
SCHEMBL30810306 0.81 IGF1R (0.51) MAPTLMNAL3MBTL1TDP1GAA
SCHEMBL29280741 0.79 MAPT (0.42) MAPTLMNAL3MBTL1TDP1GAA
Hydrochloric Acid SCHEMBL1999863 0.78 MAPT (0.42) MAPTLMNAL3MBTL1TDP1GAA
SCHEMBL30225088 0.78 PTGER4 (0.56) MAPTLMNATDP1ALDH1A1

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