SCHEMBL8612255

SCHEMBL8612255

C=Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
PKM P14618 1/20 0.67
HGFAC Q04756 1/20 0.59
XDH P47989 1/20 0.56
MAPT P10636 6/20 0.53
ALDH1A1 P00352 3/20 0.53
NR1H4 Q96RI1 1/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 3/20 0.51
HPGD P15428 1/20 0.51
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.49
ALOX5 P09917 1/20 0.49
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL4951809 0.87 KMT2A (0.84) KMT2APKMHGFACXDHMAPT
SCHEMBL542043 0.87 KMT2A (0.84) KMT2APKMHGFACXDHMAPT
SCHEMBL18434657 0.87 KMT2A (0.84) KMT2APKMHGFACXDHMAPT
SCHEMBL10636579 0.87 KMT2A (0.84) KMT2APKMHGFACXDHMAPT
SCHEMBL16812851 0.86 KMT2A (0.54) KMT2APKMHGFACMAPTALDH1A1
SCHEMBL103296 0.86 KMT2A (0.54) KMT2APKMHGFACMAPTALDH1A1
SCHEMBL5693816 0.83 KMT2A (0.72) KMT2APKMHGFACXDHMAPT
SCHEMBL12489991 0.83 PKM (0.77) KMT2APKMHGFACMAPTALDH1A1
SCHEMBL16375430 0.83 KMT2A (0.77) KMT2APKMHGFACXDHMAPT
SCHEMBL3145157 0.83 KMT2A (0.77) KMT2APKMHGFACXDHMAPT

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-5851546-A Polymer composition for controlled release of active ingredients in response to pH, and a process of preparing the same COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 1998-12-22 US claimed
US-5851546-A Polymer composition for controlled release of active ingredients in response to pH, and a process of preparing the same COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 1998-12-22 US disclosed