SCHEMBL14280476

SCHEMBL14280476

CC(=O)c1c(C=O)ccnc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
ERN1 O75460 9/20 0.35
NAPRT Q6XQN6 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ASPH Q12797 1/20 0.33
KDM8 Q8N371 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
THRB P10828 1/20 0.31

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
SCHEMBL4404205 0.79 NPSR1 (0.35) CCR1CCR5CCR8ERN1NAPRT
SCHEMBL15729618 0.78 CA12 (0.42) KDM4EALDH1A1NPSR1
SCHEMBL16414338 0.77 NAPRT (0.38) NAPRTKDM4EASPHKDM8ALDH1A1
SCHEMBL29951769 0.77 ERN1 (0.48) CCR1CCR5CCR8ERN1KDM4E
SCHEMBL28700162 0.76 NAPRT (0.37) CCR1CCR5CCR8NAPRTKDM4E
SCHEMBL2674661 0.74 NAPRT (0.36) NAPRTKDM4EASPHKDM8ALDH1A1
SCHEMBL29955484 0.73 CCR1 (0.45) CCR1CCR5CCR8ERN1NAPRT
Bromide SCHEMBL4181790 0.73 KDM4E (0.38) NAPRTKDM4EASPHKDM8ALDH1A1
SCHEMBL29955416 0.72 CCR1 (0.48) CCR1CCR5CCR8ERN1NAPRT
SCHEMBL28114355 0.72 CCR1 (0.48) CCR1CCR5CCR8ERN1NAPRT

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-7320992-B2 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. (US) 2008-01-22 US disclosed