SCHEMBL10936934

SCHEMBL10936934

O=[N+]([O-])c1ccc([N+](=O)[O-])nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ADRA2A P08913 2/20 0.50
ADRA2B P18089 2/20 0.50
ADRA2C P18825 2/20 0.50
SLC2A1 P11166 1/20 0.50
LMNA P02545 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CYP1A2 P05177 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ALOX12 P18054 2/20 0.49
GABRA1 P14867 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA2 P47869 1/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 1/20 0.47
AGTR1 P30556 1/20 0.47

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
SCHEMBL29580092 1.00 MAPT (0.50) MAPTADRA2AADRA2BADRA2CSLC2A1
SCHEMBL18403105 0.80 MAPT (0.49) MAPTADRA2AADRA2BADRA2CSLC2A1
SCHEMBL3156019 0.79 MAPT (0.52) MAPTADRA2AADRA2BADRA2CSLC2A1
SCHEMBL27803434 0.77 MAPT (0.49) MAPTLMNAGABRA1GABRG2GABRB3
SCHEMBL4892045 0.77 MAPT (0.50) MAPTADRA2AADRA2BADRA2CSLC2A1
SCHEMBL202616 0.77 ADRA2A (0.55) MAPTADRA2AADRA2BADRA2CSLC2A1
SCHEMBL18617604 0.76 MAPT (0.47) MAPTLMNAKMT2AMEN1GABRA1
SCHEMBL135841 0.76 MAPT (0.47) MAPTLMNAKMT2AMEN1CYP1A2
SCHEMBL12426895 0.76 MAPT (0.47) MAPTLMNAALDH1A1GABRA1GABRG2
SCHEMBL31401136 0.76 MAPT (0.47) MAPTKMT2AMEN1ALOX12GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110491999-B Modification method of electron transport layer for organic solar cell 太原理工大学 2022-04-12 CN disclosed
CN-105111213-B 1,4-dyhydroxy-3,6-dinitropyrazole[4,3-c]benzothiazolyl compound 西安近代化学研究所 2017-04-12 CN disclosed
US-4582947-A Nucleophilic displacement process for preparing 2,6-dihydrocarbonyl-4-(nitroaryl)phenol ETHYL CORPORATION (US) 1986-04-15 US disclosed