SCHEMBL7447720

SCHEMBL7447720

CC(C)(C)OC(=O)NCc1ccc2[nH]c(N)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
BCHE P06276 1/20 0.46
HPN P05981 1/20 0.46
CACNA1H O95180 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNA1C Q13936 1/20 0.43
KDM4A O75164 1/20 0.41
NAMPT P43490 2/20 0.41
CYP1A2 P05177 1/20 0.40
ROCK2 O75116 1/20 0.40
DYRK1A Q13627 1/20 0.40
MAPT P10636 2/20 0.39
BRD4 O60885 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC1 Q13547 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL14431418 0.88 BCHE (0.49) GRM2BCHEHPNNAMPTMAPT
SCHEMBL22775707 0.79 CACNA1H (0.53) GRM2L3MBTL1BCHEHPNCACNA1H
SCHEMBL29613729 0.79 CACNA1H (0.53) GRM2L3MBTL1BCHEHPNCACNA1H
SCHEMBL17675682 0.77 AAK1 (0.44) GRM2L3MBTL1BCHEHPNCACNA1H
SCHEMBL16729280 0.77 ALDH1A1 (0.67) MAPT
SCHEMBL29377817 0.77 ALDH1A1 (0.67) MAPT
SCHEMBL24376424 0.76 GRM2 (0.52) GRM2L3MBTL1KDM4ANAMPTCYP1A2
SCHEMBL22511718 0.76 GRM2 (0.57) GRM2L3MBTL1KDM4ANAMPTDYRK1A
SCHEMBL1616470 0.76 HPN (0.52) GRM2L3MBTL1HPNMAPT
SCHEMBL10209975 0.76 L3MBTL1 (0.47) L3MBTL1HPNKDM4ANAMPTMAPT

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-2002014349-A2 NON-COVALENT INHIBITORS OF UROKINASE AND BLOOD VESSEL FORMATION CORVAS INTERNATIONAL, INC. (US) 2002-02-21 WO disclosed