SCHEMBL28054095

SCHEMBL28054095

Cc1ccc([N+](=O)[O-])c(C(=O)OBr)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
CYP3A4 P08684 1/20 0.53
ALDH1A1 P00352 3/20 0.46
MAPT P10636 5/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SIRT6 Q8N6T7 1/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL28290156 0.87 TSHR (0.53) TSHRCYP3A4ALDH1A1MAPTNPC1
SCHEMBL145815 0.85 SIRT6 (0.57) TSHRCYP3A4ALDH1A1MAPTNPC1
SCHEMBL148384 0.83 MAPT (0.56) TSHRCYP3A4ALDH1A1MAPTNPC1
SCHEMBL28395903 0.81 TSHR (0.62) TSHRCYP3A4ALDH1A1MAPTHTT
SCHEMBL28051861 0.81 GPR35 (0.49) TSHRCYP3A4ALDH1A1MAPTNPC1
SCHEMBL149316 0.80 DTYMK (0.62) TSHRCYP3A4ALDH1A1MAPTGAA
SCHEMBL29935450 0.80 DTYMK (0.62) TSHRCYP3A4ALDH1A1MAPTGAA
SCHEMBL1277039 0.80 TSHR (0.60) TSHRCYP3A4ALDH1A1MAPTPOLB
SCHEMBL688229 0.78 TSHR (0.58) TSHRCYP3A4ALDH1A1MAPTRAB9A
SCHEMBL8446508 0.78 TSHR (0.58) TSHRCYP3A4ALDH1A1MAPTPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105294670-B Organic electroluminescent compounds and its organic photoelectric device 上海天马有机发光显示技术有限公司 2019-07-09 CN disclosed
CN-105481845-A Organic electroluminescent compound and organic photoelectric device thereof SHANGHAI TIANMA ORGANIC LIGHT-EMITTING DISPLAY TECH CO LTD 2016-04-13 CN disclosed
CN-105294670-A Organic electroluminescent compound and organic photoelectric apparatus thereof SHANGHAI TIANMA ORGANIC LIGHT EMITTING DISPLAY TEC 2016-02-03 CN disclosed