SCHEMBL8140706

SCHEMBL8140706

COc1ccc2c(OC)nc(N3CCCCC3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 2/20 0.56
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 5/20 0.54
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 2/20 0.52
GAA P10253 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
GALR2 O43603 3/20 0.50
KMT2A Q03164 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HTT P42858 2/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT5A Q9NQR1 1/20 0.48
GALR1 P47211 2/20 0.48
HPGD P15428 3/20 0.47
ACHE P22303 1/20 0.47
CYP1A2 P05177 1/20 0.46

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
SCHEMBL8133672 1.00 CCR4 (0.56) CCR4KDM4EALDH1A1MAPTNPSR1
SCHEMBL13757369 0.88 KDM4E (0.62) CCR4KDM4EALDH1A1MAPTPOLB
SCHEMBL13728425 0.84 CCR4 (0.52) CCR4KDM4EALDH1A1MAPTNPSR1
SCHEMBL13728319 0.84 KDM4E (0.53) CCR4KDM4EALDH1A1MAPTNPSR1
SCHEMBL30547003 0.78 KDM4E (0.58) CCR4KDM4EALDH1A1MAPTNPSR1
SCHEMBL6512019 0.76 KDM4E (0.86) KDM4EALDH1A1MAPTNPSR1POLB
SCHEMBL5873086 0.76 NCF1 (0.63) KDM4EALDH1A1MAPTNPSR1KMT2A
SCHEMBL18893696 0.75 EGFR (0.49) CCR4KDM4EALDH1A1MAPTNPSR1
SCHEMBL5036263 0.74 NCF1 (0.61) KDM4EALDH1A1MAPTNPSR1KMT2A
SCHEMBL8145017 0.74 KDM4E (0.46) CCR4KDM4EALDH1A1MAPTNPSR1

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
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed