SCHEMBL28073085

SCHEMBL28073085

Cc1ccc(Nc2cc(C#N)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.60
MAPK1 P28482 3/20 0.50
IDO1 P14902 1/20 0.50
FBP1 P09467 1/20 0.49
MAPT P10636 8/20 0.49
LMNA P02545 4/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TBXA2R P21731 2/20 0.47
VCAM1 P19320 1/20 0.47
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45
GSK3B P49841 1/20 0.45
CSNK1G2 P78368 1/20 0.45
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL28829832 0.89 MERTK (0.53) MERTKMAPK1IDO1FBP1MAPT
SCHEMBL29642899 0.86 MERTK (0.54) MERTKMAPK1MAPTLMNAHTT
SCHEMBL17940769 0.86 MERTK (0.54) MERTKMAPK1MAPTLMNAHTT
SCHEMBL17582826 0.86 MERTK (0.60) MERTKMAPK1MAPTHTTTDP1
SCHEMBL11901853 0.86 TDP1 (0.59) MERTKMAPK1IDO1MAPTLMNA
SCHEMBL29642854 0.85 FBP1 (0.52) MERTKMAPK1IDO1FBP1MAPT
SCHEMBL17940730 0.85 FBP1 (0.52) MERTKMAPK1IDO1FBP1MAPT
SCHEMBL21463469 0.83 MERTK (0.51) MERTKMAPK1IDO1MAPTLMNA
SCHEMBL30615492 0.83 MERTK (0.51) MERTKMAPK1IDO1MAPTLMNA
SCHEMBL30815159 0.83 MERTK (0.56) MERTKMAPK1MAPTLMNAHTT

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
CN-105820122-A Organic electroluminescent material and device 环球展览公司 2016-08-03 CN disclosed