SCHEMBL3500291

SCHEMBL3500291

Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OP(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
GPR35 Q9HC97 4/20 0.54
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
SRC P12931 2/20 0.45
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
MITF O75030 1/20 0.42
CCR6 P51684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 5/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TTR P02766 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL11248779 0.88 ALDH1A1 (0.51) ALDH1A1GPR35CA1CA2MAPT
SCHEMBL16580984 0.81 LMNA (0.48) ALDH1A1SRCMAPTLMNATDP1
SCHEMBL1091374 0.79 ALDH1A1 (0.54) ALDH1A1GPR35MAPTLMNAHTT
SCHEMBL5491264 0.78 ALDH1A1 (0.58) ALDH1A1GPR35MAPTLMNAHTT
SCHEMBL16580941 0.78 CA1 (0.46) ALDH1A1GPR35CA1CA2MAPT
Ammonia Solution, Strong SCHEMBL5480019 0.78 ALDH1A1 (0.53) ALDH1A1GPR35MAPTLMNAHTT
Ammonia Solution, Strong SCHEMBL2831339 0.78 ALDH1A1 (0.53) ALDH1A1GPR35MAPTLMNAHTT
SCHEMBL619394 0.78 ALDH1A1 (0.57) ALDH1A1GPR35CA1CA2MAPT
SCHEMBL30460084 0.78 ALDH1A1 (0.57) ALDH1A1GPR35CA1CA2MAPT
SCHEMBL1875008 0.77 ALDH1A1 (0.56) ALDH1A1GPR35MAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014074818-A2 SELECTIVE FILTER AND METHODS OF USE EMERGENT SENSOR TECHNOLOGIES, LLC (US) 2014-05-15 WO claimed
EP-2150559-B1 INCREASED PRODUCTION OF A TARGET PRODUCT VIA STABILIZATION OF MRNA DSM IP ASSETS BV (NL) 2016-02-10 EP disclosed
WO-2014074818-A2 SELECTIVE FILTER AND METHODS OF USE EMERGENT SENSOR TECHNOLOGIES, LLC (US) 2014-05-15 WO disclosed
US-8551732-B2 Increased production of a target product via stabilization of mRNA DSM IP ASSETS B.V. (NL) 2013-10-08 US disclosed
US-20100173356-A1 INCREASED PRODUCTION OF A TARGET PRODUCT VIA STABILIZATION OF mRNA DSM IP ASSETS B.V. (NL) 2010-07-08 US disclosed
EP-2150559-A2 INCREASED PRODUCTION OF A TARGET PRODUCT VIA STABILIZATION OF MRNA DSM IP Assets B.V. (NL) 2010-02-10 EP disclosed
WO-2008148575-A2 INCREASED PRODUCTION OF A TARGET PRODUCT VIA STABILIZATION OF MRNA DSM IP ASSETS B.V. (NL) 2008-12-11 WO disclosed
EP-2000477-A1 Increased production of a target product via stabilization of mRNA DSM IP Assets B.V. (NL) 2008-12-10 EP disclosed