SCHEMBL5574609

SCHEMBL5574609

CCCc1c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 8/20 0.46
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.40
ESR1 P03372 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
TTR P02766 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CRHBP P24387 1/20 0.38

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
SCHEMBL8745998 0.88 ESR1 (0.49) GPR35ALDH1A1MAPTESR1TDP1
SCHEMBL28424080 0.85 GPR35 (0.44) GPR35ALDH1A1MAPTKDM4EMEN1
SCHEMBL5589391 0.78 GPR35 (0.44) GPR35ALDH1A1MAPTKDM4EMEN1
Methyl Alcohol SCHEMBL29086960 0.78 GPR35 (0.59) GPR35ALDH1A1MAPTKDM4EMEN1
SCHEMBL1479104 0.78 GPR35 (0.59) GPR35ALDH1A1MAPTKDM4EMEN1
SCHEMBL69964 0.78 GPR35 (0.59) GPR35ALDH1A1MAPTKDM4EMEN1
SCHEMBL9724485 0.76 GPR35 (0.57) GPR35ALDH1A1MAPTKDM4EMEN1
SCHEMBL29780335 0.76 GPR35 (0.57) GPR35ALDH1A1MAPTKDM4EMEN1
Ammonia Solution, Strong SCHEMBL11020682 0.76 GPR35 (0.57) GPR35ALDH1A1MAPTKDM4EMEN1
SCHEMBL5078798 0.75 GPR35 (0.57) GPR35ALDH1A1MAPTESR1KDM4E

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-1766365-A2 DETECTION OF ANALYTES Platypus Technologies, LLC (US) 2007-03-28 EP disclosed
US-20070004046-A1 Detection of analytes PLATYPUS TECHNOLOGIES, LLC (US) 2007-01-04 US disclosed
WO-2006085971-A2 DETECTION OF ANALYTES PLATYPUS TECHNOLOGIES, LLC (US) 2006-08-17 WO disclosed