SCHEMBL4692387

SCHEMBL4692387

CC(C)(C)CNC(=O)c1cn2c(nc3ccc(CNCC4CCOCC4)cc32)s1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 3/20 0.41
GRM1 Q13255 3/20 0.41
ACSS2 Q9NR19 1/20 0.38
ITK Q08881 2/20 0.35
MAP4K4 O95819 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
GLS O94925 2/20 0.34
CNR2 P34972 2/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
AOC2 O75106 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CNR1 P21554 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
Hydrochloric Acid SCHEMBL4694732 0.99 METTL3 (0.40) METTL3GRM1ACSS2ITKMAP4K4
SCHEMBL4693212 0.93 METTL3 (0.41) METTL3GRM1ACSS2ITKGLS
Hydrochloric Acid SCHEMBL4694736 0.92 METTL3 (0.40) METTL3GRM1ACSS2ITKGLS
Hydrochloric Acid SCHEMBL4692163 0.89 GRM1 (0.39) METTL3GRM1ACSS2ITKCNR2
Hydrochloric Acid SCHEMBL4694679 0.87 METTL3 (0.42) METTL3GRM1
Hydrochloric Acid SCHEMBL4694677 0.87 METTL3 (0.42) METTL3GRM1
Hydrochloric Acid SCHEMBL4691062 0.85 GRM1 (0.41) METTL3GRM1ACSS2ITKCNR2
Hydrochloric Acid SCHEMBL4691070 0.85 GRM1 (0.41) METTL3GRM1ACSS2ITKCNR2
Hydrochloric Acid SCHEMBL4692154 0.85 GRM1 (0.45) METTL3GRM1ACSS2ITKMAP4K4
SCHEMBL4693193 0.82 GRM1 (0.46) METTL3GRM1ACSS2ITKCYP1A2

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
EP-1486501-B1 AMINOMETHYL-SUBSTITUTED THIAZOLOBENZIMIDAZOLE DERIVATIVE ASTELLAS PHARMA INC (JP) 2008-09-10 EP claimed