SCHEMBL6777443

SCHEMBL6777443

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)Nc2ccc(OC)cc2OC)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 2/20 0.39
DGAT1 O75907 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMO Q99835 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL6779541 0.89 TUBB4A (0.45) ALDH1A1LMNAMAPTHTTNPC1
SCHEMBL6777299 0.85 ALDH1A1 (0.43) ALDH1A1LMNAMAPTHTTMEN1
SCHEMBL6778932 0.83 ALDH1A1 (0.41) ALDH1A1POLBLMNAMAPTNPC1
SCHEMBL6777740 0.83 LMNA (0.46) ALDH1A1HPGDLMNAMAPTNPC1
SCHEMBL6779180 0.82 KDM4E (0.40) ALDH1A1POLBHPGDTP53MAPT
SCHEMBL6894485 0.81 MAPT (0.43) ALDH1A1HPGDTP53LMNAMAPT
SCHEMBL6778341 0.81 TLR7 (0.35)
SCHEMBL6773282 0.81 P2RY12 (0.43) ALDH1A1HPGDKMT2AUSP2CYP1A2
SCHEMBL6776588 0.80 EPHX2 (0.37) HTTL3MBTL1
SCHEMBL6777554 0.80 KDM4E (0.36) ALDH1A1POLBMAPTHTTSMO

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