SCHEMBL9458121

SCHEMBL9458121

CNc1ccc(CCl)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.54
HTT P42858 2/20 0.51
MAPT P10636 6/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KAT2B Q92831 1/20 0.46
CDC25B P30305 1/20 0.46
TSHR P16473 2/20 0.45
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL22456033 0.85 KAT2B (0.61) HCAR3HTTMAPTTDP1L3MBTL1
SCHEMBL9458424 0.83 HCAR3 (0.58) HCAR3HTTMAPTTDP1L3MBTL1
SCHEMBL10039064 0.83 HCAR3 (0.50) HCAR3HTTMAPTTDP1L3MBTL1
SCHEMBL1492448 0.77 ALDH1A1 (0.55) HTTMAPTTSHRALDH1A1MAPK1
SCHEMBL1982270 0.77 L3MBTL1 (0.61) HCAR3HTTMAPTTDP1L3MBTL1
SCHEMBL22115089 0.77 HCAR3 (0.55) HCAR3HTTMAPTTDP1L3MBTL1
SCHEMBL7483108 0.77 HCAR3 (0.58) HCAR3HTTMAPTTDP1CDC25B
SCHEMBL2319014 0.76 MAPT (0.56) HCAR3HTTMAPTTDP1L3MBTL1
SCHEMBL365880 0.75 MAPT (0.60) HCAR3HTTMAPTTDP1L3MBTL1
SCHEMBL10534498 0.75 HTT (0.71) HCAR3HTTMAPTTDP1L3MBTL1

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
US-5258370-A Artificial redox enzymes CURATORS OF THE UNIVERSITY OF MISSOURI (US) 1993-11-02 US disclosed
WO-1992017508-A1 ARTIFICIAL REDOX ENZYMES UNIVERSITY OF MISSOURI (US) 1992-10-15 WO disclosed