SCHEMBL13314971

SCHEMBL13314971

N=Nc1cc2cccnc2c2ncccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.56
CCR8 P51685 5/20 0.56
L3MBTL1 Q9Y468 5/20 0.56
MAPT P10636 3/20 0.49
ALDH1A1 P00352 3/20 0.49
CCR5 P51681 3/20 0.47
HSP90AA1 P07900 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MMP2 P08253 2/20 0.47
TSHR P16473 2/20 0.47
GMNN O75496 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MMP9 P14780 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
MMP8 P22894 1/20 0.47

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
SCHEMBL17066281 0.88 ALDH1A1 (0.45) CCR1CCR8L3MBTL1MAPTALDH1A1
SCHEMBL3688928 0.82 L3MBTL1 (0.56) CCR1CCR8L3MBTL1MAPTALDH1A1
SCHEMBL913270 0.78 L3MBTL1 (0.51) CCR1CCR8L3MBTL1MAPTALDH1A1
SCHEMBL12914331 0.77 L3MBTL1 (0.68) CCR1CCR8L3MBTL1MAPTALDH1A1
SCHEMBL12079320 0.76 CCR1 (0.61) CCR1CCR8L3MBTL1MAPTALDH1A1
SCHEMBL11581594 0.73 KDM4E (0.54) CCR1CCR8L3MBTL1MAPTALDH1A1
SCHEMBL2451458 0.73 CCR1 (0.58) CCR1CCR8L3MBTL1MAPTALDH1A1
SCHEMBL29444795 0.73 CCR1 (0.58) CCR1CCR8L3MBTL1MAPTALDH1A1
SCHEMBL504765 0.72 CCR1 (1.00) CCR1CCR8L3MBTL1MAPTALDH1A1
SCHEMBL2450872 0.72 L3MBTL1 (0.61) CCR1CCR8L3MBTL1MAPTALDH1A1

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-7736484-B2 Method for grafting and growing a conductive organic film on a surface COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-06-15 US disclosed