SCHEMBL3328834

SCHEMBL3328834

O=C(Cl)c1cc([N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.44
CASP6 P55212 1/20 0.42
CYP3A4 P08684 3/20 0.42
MAPT P10636 2/20 0.42
BLM P54132 2/20 0.42
PMP22 Q01453 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.40
VCAM1 P19320 1/20 0.40
LMNA P02545 3/20 0.39
CTSD P07339 1/20 0.39
DTYMK P23919 1/20 0.38
CES2 O00748 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
GRIK1 P39086 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 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
SCHEMBL8575620 0.96 GPR35 (0.44) GPR35CASP6CYP3A4MAPTBLM
SCHEMBL6570778 0.86 VCAM1 (0.49) GPR35CYP3A4MAPTBLMPMP22
SCHEMBL10627028 0.84 TSHR (0.46) GPR35CYP3A4MAPTBLMPMP22
SCHEMBL10483678 0.83 VCAM1 (0.46) GPR35CASP6CYP3A4ALDH1A1TSHR
SCHEMBL8138894 0.83 VCAM1 (0.46) GPR35CYP3A4ALDH1A1TSHRVCAM1
SCHEMBL8142965 0.82 TSHR (0.43) GPR35CYP3A4MAPTALDH1A1TSHR
SCHEMBL31354849 0.82 ALDH1A1 (0.42) GPR35CASP6CYP3A4MAPTBLM
SCHEMBL5668778 0.82 ALDH1A1 (0.42) GPR35CASP6CYP3A4MAPTBLM
SCHEMBL773100 0.82 TSHR (0.47) GPR35CASP6CYP3A4ALDH1A1TSHR
SCHEMBL11317819 0.80 DTYMK (0.56) GPR35CASP6CYP3A4MAPTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101784554-B Novel amide group-containing siloxane amine compound SONY CHEM & INF DEVICE CORP 2013-07-17 CN disclosed
US-8193295-B2 Amide group-containing siloxane amine compound SONY CHEMICAL & INFORMATION DEVICE CORPORATION (JP) 2012-06-05 US disclosed
CN-101784554-A Novel amide group-containing siloxane amine compound SONY CHEM & INF DEVICE CORP 2010-07-21 CN disclosed
US-20100137547-A1 NOVEL AMIDE GROUP-CONTAINING SILOXANE AMINE COMPOUND SONY CHEMICAL & INFORMATON DEVICE CORPORATION (JP) 2010-06-03 US disclosed