SCHEMBL6771906

SCHEMBL6771906

CCOCc1nc2c(N)nc(C)c(C)c2n1CCCNC(=O)NC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 12/20 0.41
EPHX2 P34913 6/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 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
SCHEMBL5027846 0.96 EPHX1 (0.39) EPHX1EPHX2KDM4EALDH1A1
SCHEMBL6778648 0.88 TP53 (0.38) KDM4EALDH1A1
SCHEMBL6773214 0.86 EPHX1 (0.44) EPHX1EPHX2GAAKDM4EALDH1A1
SCHEMBL6778701 0.85 TLR7 (0.40)
SCHEMBL1490991 0.85 EPHX1 (0.39) EPHX1EPHX2GAA
SCHEMBL6782966 0.84 TLR7 (0.39) EPHX1
SCHEMBL6775573 0.84 TLR7 (0.39) KDM4EALDH1A1
SCHEMBL14500921 0.84 EPHX2 (0.40) EPHX1EPHX2GAAKDM4EALDH1A1
SCHEMBL6782676 0.84 EPHX1 (0.41) EPHX1EPHX2
SCHEMBL544499 0.83 TLR7 (0.41) EPHX1ALDH1A1

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