SCHEMBL2837830

SCHEMBL2837830

O=C(c1cccc([N+](=O)[O-])c1[N+](=O)[O-])c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.53
TSHR P16473 3/20 0.49
ALDH1A1 P00352 2/20 0.46
CTSD P07339 1/20 0.44
TDP1 Q9NUW8 4/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 2/20 0.40
CASP6 P55212 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GMNN O75496 1/20 0.39
TTR P02766 1/20 0.39

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
SCHEMBL7417028 0.93 GPR35 (0.60) GPR35TSHRALDH1A1CTSDTDP1
SCHEMBL11777964 0.91 GPR35 (0.47) GPR35TSHRALDH1A1CTSDMAPK1
SCHEMBL8962721 0.85 GPR35 (0.51) GPR35TSHRALDH1A1CTSDTDP1
SCHEMBL1694705 0.85 GPR35 (0.51) GPR35TSHRALDH1A1CTSDTDP1
SCHEMBL11107590 0.83 MAPK1 (0.54) GPR35ALDH1A1POLBMAPK1CASP6
SCHEMBL3671 0.82 TSHR (0.68) GPR35TSHRALDH1A1CTSDTDP1
SCHEMBL7263414 0.82 GPR35 (0.60) GPR35TSHRALDH1A1CTSDTDP1
SCHEMBL30893562 0.82 TSHR (0.68) GPR35TSHRALDH1A1CTSDTDP1
SCHEMBL7115179 0.81 GPR35 (0.51) GPR35TSHRALDH1A1CTSDTDP1
SCHEMBL7791983 0.80 TSHR (0.66) GPR35TSHRALDH1A1CTSDTDP1

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
US-8226782-B2 Application of high temperature explosive to downhole use SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2012-07-24 US disclosed
WO-2010042258-A2 APPLICATION OF HIGH TEMPERATURE EXPLOSIVE TO DOWNHOLE USE SCHLUMBERGER CANADA LIMITED (CA) 2010-04-15 WO disclosed
US-20100006193-A1 APPLICATION OF HIGH TEMPERATURE EXPLOSIVE TO DOWNHOLE USE SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2010-01-14 US disclosed
US-20020129940-A1 High temperature explosives for downhole well applications SCHLUMBERGER TECHNOLOGY CORPORATION 2002-09-19 US disclosed