SCHEMBL28195331

SCHEMBL28195331

O=[N+]([O-])c1cccc2nc(Br)[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
APEX1 P27695 2/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
TSHR P16473 2/20 0.49
NOS1 P29475 2/20 0.49
CYP2C19 P33261 2/20 0.49
NOS2 P35228 2/20 0.49
BLM P54132 2/20 0.49
THRB P10828 1/20 0.49
HPGD P15428 1/20 0.49
NOS3 P29474 1/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL6332534 0.83 MAPT (0.51) MAPTMEN1KMT2ATDP1APEX1
SCHEMBL1013587 0.81 MAPT (0.53) MAPTMEN1KMT2ATDP1APEX1
SCHEMBL1201707 0.80 TYMS (0.56) MAPTMEN1KMT2ATDP1APEX1
SCHEMBL1487573 0.80 MAPT (0.49) MAPTMEN1KMT2ATDP1APEX1
SCHEMBL27589479 0.80 GAA (0.56) MAPTMEN1KMT2ATDP1APEX1
SCHEMBL15228497 0.76 MAPT (0.45) MAPTMEN1KMT2ATDP1APEX1
SCHEMBL11370268 0.76 PARP1 (0.51) MAPTMEN1KMT2ATDP1APEX1
SCHEMBL6813356 0.76 NPSR1 (0.46) MAPTMEN1KMT2ATDP1APEX1
SCHEMBL3947023 0.76 MAPT (0.45) MAPTMEN1KMT2ATDP1APEX1
SCHEMBL1895139 0.76 MEN1 (0.56) MAPTMEN1KMT2ATDP1APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109065832-B Method for growing protective layer on surface of metal negative electrode of secondary lithium battery 武汉船用电力推进装置研究所(中国船舶重工集团公司第七一二研究所) 2021-07-09 CN disclosed
CN-107635558-A Bu Luomo domain inhibitor 赛尔基因昆蒂赛尔研究公司 2018-01-26 CN disclosed