SCHEMBL16735795

SCHEMBL16735795

Nc1ccnc2cnc3cc(Cl)ccc3c12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.70
SOS2 Q07890 1/20 0.70
CYP1A2 P05177 1/20 0.46
FERMT2 Q96AC1 3/20 0.46
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
KMT2A Q03164 2/20 0.44
CCR1 P32246 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
CHKA P35790 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT5B Q4FZB7 1/20 0.41

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
SCHEMBL596040 0.83 NR4A2 (1.00) NR4A2SOS2CYP1A2FERMT2MAPT
SCHEMBL21101482 0.75 NR4A2 (1.00) NR4A2SOS2CYP1A2FERMT2MAPT
SCHEMBL2708504 0.74 NR4A2 (0.59) NR4A2SOS2CYP1A2FERMT2MAPT
SCHEMBL5765299 0.73 NR4A2 (0.58) NR4A2SOS2CYP1A2FERMT2MAPT
SCHEMBL10424586 0.71 NR4A2 (0.56) NR4A2SOS2CYP1A2FERMT2MAPT
SCHEMBL20494859 0.71 NR4A2 (0.56) NR4A2SOS2CYP1A2FERMT2MAPT
SCHEMBL29392254 0.71 NR4A2 (0.56) NR4A2SOS2CYP1A2FERMT2MAPT
SCHEMBL16735797 0.71 NR4A2 (0.51) NR4A2SOS2CYP1A2FERMT2MAPT
SCHEMBL29396540 0.71 NR4A2 (0.66) NR4A2SOS2CYP1A2FERMT2MAPT
SCHEMBL317202 0.71 NR4A2 (0.66) NR4A2SOS2CYP1A2FERMT2MAPT

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
EP-2268618-B1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2015-05-27 EP disclosed