SCHEMBL8065629

SCHEMBL8065629

O=C(Oc1ccccc1-c1ccc([N+](=O)[O-])cc1)Oc1ccccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
MAPK1 P28482 1/20 0.49
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
CES1 P23141 2/20 0.45
CES2 O00748 1/20 0.45
HTR7 P34969 1/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
IKBKB O14920 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
SCHEMBL8065631 0.89 POLB (0.51) POLBMAPK1ADRA2AADRA2BADRA2C
SCHEMBL8065636 0.89 POLB (0.51) POLBMAPK1ADRA2AADRA2BADRA2C
SCHEMBL25285573 0.88 ADRA2A (0.47) POLBMAPK1ADRA2AADRA2BADRA2C
SCHEMBL17796922 0.88 POLB (0.46) POLBMAPK1ADRA2AADRA2BADRA2C
SCHEMBL27737793 0.84 POLB (0.43) POLBMAPK1ADRA2AADRA2BADRA2C
SCHEMBL8063661 0.83 AKR1C3 (0.51) ADRA2AADRA2BADRA2CPTGDR2CES1
SCHEMBL9812692 0.83 ADRA2A (0.50) POLBMAPK1ADRA2AADRA2BADRA2C
Water SCHEMBL11780560 0.81 ADRA2A (0.49) POLBMAPK1ADRA2AADRA2BADRA2C
SCHEMBL9978745 0.81 CYP1B1 (0.50) MAPK1MAPTKMT2AMEN1KDM4E
SCHEMBL9978744 0.81 CYP1B1 (0.50) MAPK1MAPTKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143917-A FROM A DIARYL CARBONATE AND AN AMINE COMPOUND HAVING AT LEAST ONE HYDROGEN ATOM LOCATED AT AN N-POSITION UNDER MODERATE CONDITIONS AT A HIGH REACTION RATE WITH A HIGH SELECTIVITY AND WITH A HIGH YIELD UBE INDUSTRIES, LTD. (JP) 2000-11-07 US disclosed
EP-0902014-A1 PROCESS FOR PRODUCING ARYL CARBAMATES UBE INDUSTRIES LIMITED (JP) 1999-03-17 EP disclosed