SCHEMBL6776398

SCHEMBL6776398

CCN(CC)CCCNC(=S)NCCn1c(C)nc2c(N)nc(C)c(C)c21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RAD52 P43351 3/20 0.32
HTT P42858 3/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
TLR8 Q9NR97 1/20 0.31
GAA P10253 1/20 0.30
ACKR3 P25106 1/20 0.30

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
SCHEMBL6778424 0.82 TLR7 (0.37) NPC1RAB9AALDH1A1TLR8
SCHEMBL6773855 0.77 KDM4E (0.43) KDM4ECYP3A4NPC1HTTLMNA
SCHEMBL6777224 0.77 EPHX1 (0.37) KDM4ECYP3A4HSD17B10ALDH1A1KMT2A
SCHEMBL6768462 0.76 TLR7 (0.38) HSD17B10KMT2ASMN1; SMN2TLR8
SCHEMBL6779590 0.76 MAPKAPK2 (0.43) CYP3A4NPC1RAB9AHTTLMNA
SCHEMBL6776668 0.76 SMN1; SMN2 (0.44) KDM4ENPC1RAB9AHTTLMNA
SCHEMBL6110335 0.75 KDM4E (0.39) KDM4ECYP3A4MAPK1ALDH1A1GAA
SCHEMBL6283619 0.74 TLR7 (0.32) ALDH1A1GAA
SCHEMBL6773229 0.74 EPHX2 (0.46) HTTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL6779314 0.74 QPCT (0.45) LMNAALDH1A1KMT2AGAA

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