SCHEMBL18924956

SCHEMBL18924956

CNc1nc(OC)nc(C(=O)O)c1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
PDE10A Q9Y233 1/20 0.32
MAPK14 Q16539 1/20 0.31
GPR35 Q9HC97 1/20 0.31
KDM4E B2RXH2 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL10177617 0.77 TDP1 (0.41) LMNATDP1POLBNPSR1GPR35
SCHEMBL15033718 0.72 MAPT (0.43) LMNATDP1NPSR1KDM4EMAPT
SCHEMBL21422768 0.72 PAK4 (0.35) LMNANPSR1ALDH1A1MAPTHTT
SCHEMBL18924957 0.71 PDE4A (0.38) L3MBTL1ALDH1A1MAPT
SCHEMBL15033784 0.71 CA1 (0.45) KDM4EL3MBTL1ALDH1A1
SCHEMBL2981405 0.67 NPSR1 (0.41) LMNATDP1POLBNPSR1GPR35
SCHEMBL18924951 0.66 KMO (0.43) KDM4ECYP1A2ALDH1A1MAPT
SCHEMBL9190916 0.64 TDP1 (0.40) LMNATDP1POLBNPSR1CYP1A2
SCHEMBL10177621 0.64 CYP1A2 (0.37) LMNATDP1NPSR1PDE10ACYP1A2
SCHEMBL22602453 0.64 LMNA (0.40) LMNATDP1NPSR1KDM4ECYP1A2

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
US-9670222-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2017-06-06 US disclosed