SCHEMBL6325912

SCHEMBL6325912

O=[N+]([O-])c1ccc(-c2c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 8/20 0.46
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 2/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RECQL P46063 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TTR P02766 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 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
SCHEMBL6271434 0.84 CRHBP (0.47) GPR35ALDH1A1TDP1MEN1KMT2A
SCHEMBL1479104 0.76 GPR35 (0.59) GPR35ALDH1A1TDP1MEN1KMT2A
SCHEMBL69964 0.76 GPR35 (0.59) GPR35ALDH1A1TDP1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL11020682 0.74 GPR35 (0.57) GPR35ALDH1A1TDP1MEN1KMT2A
SCHEMBL29780335 0.74 GPR35 (0.57) GPR35ALDH1A1TDP1MEN1KMT2A
SCHEMBL9724485 0.74 GPR35 (0.57) GPR35ALDH1A1TDP1MEN1KMT2A
SCHEMBL6325904 0.74 KMT2A (0.49) GPR35ALDH1A1TDP1MEN1KMT2A
SCHEMBL13290013 0.73 RECQL (0.49) ALDH1A1TDP1MEN1KMT2AMAPK1
SCHEMBL4973651 0.73 GPR35 (0.55) GPR35ALDH1A1TDP1MEN1KMT2A
Potassium Ion SCHEMBL1477825 0.73 GPR35 (0.55) GPR35ALDH1A1TDP1MEN1KMT2A

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