SCHEMBL8914718

SCHEMBL8914718

NC(=O)c1ccccc1-c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.51
HSP90AA1 P07900 1/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
PTGS2 P35354 2/20 0.49
KMT2A Q03164 2/20 0.49
BCAT2 O15382 1/20 0.49
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
CES1 P23141 1/20 0.48
S100A4 P26447 1/20 0.48
CASP1 P29466 1/20 0.47
MAPT P10636 1/20 0.47
PARP1 P09874 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL9457556 0.88 BCAT2 (0.62) KMT2ABCAT2CES1CASP1MAPT
SCHEMBL10752700 0.83 ALDH1A1 (0.51) PTPRCHSP90AA1CDK5CDK5R1NCOA1
SCHEMBL27958260 0.82 KMT2A (0.58) PTGS2KMT2ABCAT2ALDH1A1SMN1; SMN2
SCHEMBL16620979 0.82 KMT2A (0.61) PTPRCKMT2ABCHEACHECES1
SCHEMBL7256623 0.78 BCAT2 (0.57) PTPRCKMT2ABCAT2CES1MAPT
SCHEMBL27924243 0.77 KMT2A (0.55) KMT2ACASP1MAPTALDH1A1SMN1; SMN2
SCHEMBL27906245 0.77 KMT2A (0.55) KMT2ACASP1ALDH1A1SMN1; SMN2POLB
SCHEMBL10448853 0.77 PTGS2 (0.74) PTPRCHSP90AA1CDK5CDK5R1NCOA1
SCHEMBL30381875 0.76 CASP1 (0.52) KMT2ABCAT2CASP1MAPTPARP1
SCHEMBL28856829 0.76 KMT2A (0.50) PTPRCHSP90AA1CDK5CDK5R1NCOA1

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
US-5663437-A 2-(N-benzoylimino)-4, 4-diaminobiphenyl THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1997-09-02 US disclosed