SCHEMBL6325904

SCHEMBL6325904

O=[N+]([O-])c1ccccc1-c1c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
GPR35 Q9HC97 3/20 0.47
MEN1 O00255 4/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
CASP6 P55212 3/20 0.45
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
APEX1 P27695 1/20 0.43
S100A4 P26447 3/20 0.42
PTPRC P08575 1/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 2/20 0.42
KDM4A O75164 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL13290011 0.78 KMT2A (0.59) KMT2ACRHBPCRHR2ALDH1A1TDP1
SCHEMBL2832435 0.77 TDP1 (0.59) KMT2AALDH1A1TDP1GPR35MEN1
SCHEMBL69964 0.76 GPR35 (0.59) KMT2ACRHBPCRHR2ALDH1A1TDP1
SCHEMBL1479104 0.76 GPR35 (0.59) KMT2ACRHBPCRHR2ALDH1A1TDP1
SCHEMBL224588 0.75 S100A4 (0.46) KMT2ACRHBPCRHR2ALDH1A1TDP1
SCHEMBL13290018 0.75 KMT2A (0.56) KMT2ACRHBPCRHR2ALDH1A1TDP1
Ammonia Solution, Strong SCHEMBL11020682 0.74 GPR35 (0.57) KMT2ACRHBPCRHR2ALDH1A1TDP1
SCHEMBL29780335 0.74 GPR35 (0.57) KMT2ACRHBPCRHR2ALDH1A1TDP1
SCHEMBL9724485 0.74 GPR35 (0.57) KMT2ACRHBPCRHR2ALDH1A1TDP1
SCHEMBL6325912 0.74 GPR35 (0.46) KMT2ACRHBPCRHR2ALDH1A1TDP1

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-6921624-B2 Optical recording medium KABUSHIKI KAISHA TOSHIBA (JP) 2005-07-26 US disclosed
US-20030104285-A1 Optical recording medium KABUSHIKI KAISHA TOSHIBA (JP) 2003-06-05 US disclosed