SCHEMBL8973686

SCHEMBL8973686

Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.69
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
MAPT P10636 6/20 0.56
ALDH1A1 P00352 4/20 0.56
HTT P42858 3/20 0.56
GAA P10253 2/20 0.56
MAPK1 P28482 1/20 0.56
TBXA2R P21731 4/20 0.56
TTR P02766 3/20 0.53
LMNA P02545 3/20 0.52
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.51
THRB P10828 1/20 0.51
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL22966296 0.89 TBXA2R (0.56) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL27710883 0.89 HSPB1 (0.79) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL27721309 0.86 HSPB1 (0.67) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL1042708 0.85 HSPB1 (0.73) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL29390372 0.85 HSPB1 (0.73) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL13236300 0.85 HSPB1 (0.57) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL5320033 0.85 L3MBTL1 (0.71) HSPB1MEN1KMT2AMAPTALDH1A1
Fluoride SCHEMBL27713012 0.85 HSPB1 (0.65) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL10422278 0.84 HSD17B10 (0.53) HSPB1MEN1KMT2AALDH1A1TBXA2R
SCHEMBL8973495 0.84 L3MBTL1 (0.69) HSPB1MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101250123-A Method for preparing 2,4-di(2,4-diamino phenoxy) toluene UNIV DONGHUA (CN) 2008-08-27 CN disclosed
CN-101250124-A Method for preparing 2,5-di(2,4-diamino phenoxy) toluene UNIV DONGHUA (CN) 2008-08-27 CN disclosed
CN-101245013-A Process for producing 2,4-bis(2,4-dinitrophenoxy)methylbenzene UNIV DONGHUA (CN) 2008-08-20 CN disclosed
EP-0335274-B1 Formation of nitrophenyl ethers from polyols and nitroanisoles DOW CHEMICAL CO (US) 1996-03-13 EP disclosed
US-4960950-A Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1990-10-02 US disclosed