SCHEMBL6779180

SCHEMBL6779180

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)Nc2ccc(N(C)C)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
ESR2 Q92731 1/20 0.38
KIT P10721 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FLT3 P36888 1/20 0.36
THRB P10828 2/20 0.36
POLB P06746 2/20 0.35
TLR7 Q9NYK1 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35

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
SCHEMBL6777299 0.91 ALDH1A1 (0.43) KDM4EMAPTKMT2AGAASMN1; SMN2
SCHEMBL6777740 0.85 LMNA (0.46) KDM4EMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL6779541 0.84 TUBB4A (0.45) MAPTKMT2AALDH1A1FLT3HTT
SCHEMBL6777973 0.84 TLR7 (0.37) SMN1; SMN2TLR7TLR8NUDT1
SCHEMBL6894485 0.84 MAPT (0.43) KDM4EMAPTGAASMN1; SMN2TP53
SCHEMBL6772831 0.83 FAAH (0.38) ALDH1A1TLR7TLR8NUDT1FAAH
SCHEMBL6778341 0.83 TLR7 (0.35) TLR7TLR8NUDT1
SCHEMBL6773282 0.83 P2RY12 (0.43) KMT2ASMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL6279887 0.83 TLR7 (0.41) TLR7TLR8NUDT1
SCHEMBL6776588 0.83 EPHX2 (0.37) GAATLR7HTTTLR8NUDT1

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-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed