SCHEMBL8029965

SCHEMBL8029965

CN(C(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 2/20 0.60
HTT P42858 2/20 0.60
KDM4E B2RXH2 3/20 0.56
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
NPC1 O15118 1/20 0.53
RECQL P46063 1/20 0.53
RAB9A P51151 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52
THRB P10828 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.50
NTSR1 P30989 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NOD2 Q9HC29 1/20 0.50

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
SCHEMBL10376637 0.87 THRB (0.48) KMT2AALDH1A1MEN1HTTKDM4E
SCHEMBL8036800 0.80 ALDH1A1 (0.53) KMT2AALDH1A1MEN1HTTKDM4E
SCHEMBL1613946 0.79 ALDH1A1 (0.74) KMT2AALDH1A1MEN1HTTKDM4E
SCHEMBL11511969 0.79 ALDH1A1 (0.62) KMT2AALDH1A1MEN1HTTKDM4E
SCHEMBL1146176 0.78 ALDH1A1 (0.72) KMT2AALDH1A1MEN1HTTKDM4E
SCHEMBL8020586 0.77 KMT2A (0.55) KMT2AALDH1A1MEN1HTTKDM4E
SCHEMBL13099833 0.76 KDM4E (0.65) KMT2AALDH1A1MEN1HTTKDM4E
SCHEMBL30581469 0.76 KDM4E (0.65) KMT2AALDH1A1MEN1HTTKDM4E
SCHEMBL1016036 0.76 ALDH1A1 (0.61) KMT2AALDH1A1MEN1LMNANPC1
SCHEMBL12309435 0.76 ALDH1A1 (0.68) KMT2AALDH1A1MEN1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-5919824-A Aminophenol derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-07-06 US disclosed
CN-1178523-A Aminophenol derivatives DIICHI PHARMACEUTICAL CO LTD (JP) 1998-04-08 CN disclosed