SCHEMBL9053698

SCHEMBL9053698

CCc1cc2ccc([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.52
KDM4E B2RXH2 1/20 0.50
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
NOS1 P29475 1/20 0.47
GRIA1 P42261 1/20 0.47
GRIA2 P42262 1/20 0.47
GRIA3 P42263 1/20 0.47
GRIA4 P48058 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
RIPK1 Q13546 2/20 0.47
ALDH1A1 P00352 3/20 0.46
KCNJ1 P48048 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6257538 0.87 CYP19A1 (0.54) NPBWR1KDM4EMAPTPOLBMEN1
SCHEMBL28993262 0.85 KDM4E (0.52) NPBWR1KDM4EMAPTPOLBMEN1
SCHEMBL1122279 0.79 RIPK1 (0.60) NPBWR1KDM4EMAPTMEN1KMT2A
SCHEMBL1630724 0.78 MAPT (0.51) NPBWR1KDM4EMAPTPOLBMEN1
SCHEMBL9183096 0.77 CA12 (0.54) KDM4EMAPTPOLBMEN1KMT2A
SCHEMBL19335080 0.76 ALDH1A1 (0.48) NPBWR1KDM4EMAPTPOLBMEN1
SCHEMBL28784277 0.76 MAPT (0.42) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL7807147 0.75 KDM4E (0.55) NPBWR1KDM4EMAPTPOLBMEN1
SCHEMBL17141271 0.75 MTNR1A (0.48) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL5150341 0.75 MAPT (0.51) NPBWR1MAPTPOLBMEN1KMT2A

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
WO-1996004906-A1 COMPOUNDS FOR THE TREATMENT OF RESTENOSIS THE WELLCOME FOUNDATION LIMITED (GB) 1996-02-22 WO disclosed