SCHEMBL6777586

SCHEMBL6777586

CCOCc1nc2c(N)nc(C)c(C)c2n1CCCNC(=O)Nc1cccc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 2/20 0.44
ALOX15 P16050 1/20 0.44
HTR2A P28223 4/20 0.43
CCR3 P51677 3/20 0.43
MAPT P10636 5/20 0.42
NPY1R P25929 1/20 0.42
CASR P41180 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
TLR7 Q9NYK1 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL6781852 0.90 CCR3 (0.42) HTR2ACCR3MAPTTLR7NPC1
SCHEMBL6776452 0.89 TLR7 (0.46) MAPTALDH1A1HTTTLR7
SCHEMBL6778719 0.88 KMT2A (0.48) PKMHSD17B10KMT2AALOX15HTR2A
SCHEMBL6773021 0.88 CCR3 (0.41) HSD17B10KMT2ACCR3MAPTTLR7
SCHEMBL6776089 0.88 CCR3 (0.44) HTR2ACCR3MAPTTLR7NPC1
SCHEMBL6773863 0.87 GAA (0.47) HSD17B10KMT2AMAPTALDH1A1HTT
SCHEMBL6776505 0.86 PKM (0.45) PKMHSD17B10KMT2AALOX15HTR2A
SCHEMBL5030293 0.85 TLR7 (0.46) HSD17B10KMT2AALDH1A1HTTTLR7
SCHEMBL6782875 0.83 MAPT (0.47) PKMHSD17B10KMT2AALOX15HTR2A
SCHEMBL6783075 0.83 HDAC3 (0.43) CCR3MAPTALDH1A1LMNATLR7

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