SCHEMBL6894485

SCHEMBL6894485

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)Nc2cccc(SC)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.37
CCR2 P41597 1/20 0.37
FAAH O00519 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.36
TLR7 Q9NYK1 4/20 0.36
TLR8 Q9NR97 2/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
CCR3 P51677 1/20 0.35
NUDT1 P36639 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
SCHEMBL6777740 0.90 LMNA (0.46) MAPTLMNAKDM4ESMN1; SMN2FAAH
SCHEMBL6777299 0.90 ALDH1A1 (0.43) MAPTLMNAKDM4ESMN1; SMN2GAA
SCHEMBL6779541 0.89 TUBB4A (0.45) MAPTLMNAALDH1A1CCR3
SCHEMBL6773282 0.88 P2RY12 (0.43) SMN1; SMN2CCR2ALDH1A1HPGDHSD17B10
SCHEMBL6779180 0.84 KDM4E (0.40) MAPTKDM4ESMN1; SMN2GAAFAAH
SCHEMBL6773021 0.82 CCR3 (0.41) MAPTKDM4ESMN1; SMN2HSD17B10TP53
SCHEMBL6777973 0.82 TLR7 (0.37) LMNASMN1; SMN2TLR7TLR8NUDT1
SCHEMBL6777443 0.81 ALDH1A1 (0.40) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL6778341 0.81 TLR7 (0.35) TLR7TLR8NUDT1
SCHEMBL6772831 0.81 FAAH (0.38) FAAHALDH1A1TLR7TLR8NUDT1

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