SCHEMBL5652028

SCHEMBL5652028

Cc1cc([N+](=O)[O-])cc(N)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
ALDH1A1 P00352 6/20 0.46
HTT P42858 3/20 0.46
CYP3A4 P08684 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.41
CYP19A1 P11511 1/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL2437759 0.85 TSHR (0.58) TSHRALDH1A1HTTCYP3A4TDP1
Ammonia Solution, Strong SCHEMBL28208001 0.83 TSHR (0.56) TSHRALDH1A1HTTCYP3A4TDP1
SCHEMBL7690047 0.78 ALDH1A1 (0.45) TSHRALDH1A1HTTCYP3A4TDP1
SCHEMBL29664408 0.76 TSHR (0.48) TSHRALDH1A1HTTCYP3A4TDP1
SCHEMBL899149 0.76 TSHR (0.48) TSHRALDH1A1HTTTDP1L3MBTL1
SCHEMBL5864975 0.76 TSHR (0.48) TSHRALDH1A1HTTCYP3A4TDP1
SCHEMBL31481313 0.76 MAPT (0.51) TSHRALDH1A1HTTTDP1L3MBTL1
SCHEMBL11843690 0.73 TSHR (0.45) TSHRALDH1A1HTTTDP1POLB
SCHEMBL10962494 0.73 TSHR (0.45) TSHRALDH1A1HTTTDP1POLB
SCHEMBL10517534 0.72 MAPT (0.58) ALDH1A1HTTCYP3A4TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 US disclosed
EP-1710238-A1 Benzophenones as inhibitors of reverse transcriptase GLAXO GROUP LIMITED (GB) 2006-10-11 EP disclosed
CN-1213038-C Benzophenones as reverse transcriptase inhibitors GLAXO GROUP LTD (GB) 2005-08-03 CN disclosed
CN-1636986-A Benzophenones as inhibitors of reverse transcriptase GLAXO GROUP LTD (GB) 2005-07-13 CN disclosed
CN-1636985-A Benzophenones as inhibitors of reverse transcriptase GLAXO GROUP LTD (GB) 2005-07-13 CN disclosed
CN-1636984-A Benzophenones as inhibitors of reverse transcriptase GLAXO GROUP LTD (GB) 2005-07-13 CN disclosed
CN-1391565-A Benzophenones as reverse transcriptase inhibitors GLAXO GROUP LTD (GB) 2003-01-15 CN disclosed
EP-1208091-A1 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE GLAXO GROUP LIMITED (GB) 2002-05-29 EP disclosed
WO-2001017982-A1 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE GLAXO GROUP LIMITED (GB) 2001-03-15 WO disclosed