SCHEMBL4516641

SCHEMBL4516641

O=[N+]([O-])c1ccc(-c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
LMNA P02545 2/20 0.64
PGR P06401 3/20 0.58
TDP2 O95551 2/20 0.55
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP19A1 P11511 1/20 0.55
MAPT P10636 2/20 0.54
ALDH1A1 P00352 5/20 0.54
HTR1A P08908 1/20 0.54
HTR7 P34969 1/20 0.54
APP P05067 1/20 0.53
ACHE P22303 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALOX15 P16050 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL7838339 0.92 LMNA (0.64) TSHRLMNAPGRTDP2POLB
SCHEMBL6738366 0.91 TSHR (0.76) TSHRLMNAPGRPOLBCYP19A1
SCHEMBL2009026 0.89 TSHR (0.67) TSHRLMNAPGRPOLBMAPT
SCHEMBL29526232 0.89 TSHR (0.67) TSHRLMNAPGRPOLBMAPT
SCHEMBL28471286 0.89 TSHR (0.73) TSHRLMNAPGRPOLBMAPT
Iodide SCHEMBL28598177 0.89 TSHR (0.73) TSHRLMNAPGRPOLBMAPT
Iodide SCHEMBL30804629 0.89 TSHR (0.73) TSHRLMNAPGRPOLBMAPT
SCHEMBL11392466 0.89 TSHR (0.73) TSHRLMNAPGRPOLBMAPT
SCHEMBL11392461 0.89 TSHR (0.73) TSHRLMNAPGRPOLBMAPT
SCHEMBL30469335 0.88 TSHR (0.64) TSHRLMNAPGRPOLBMAPT

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
CN-103906742-A Selenophene-fused aromatic compound and manufacturing method thereof UNIV SEJONG IND ACAD COOP GR 2014-07-02 CN disclosed
US-7570055-B1 Molecular identification and electron resonance system and method THE UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2009-08-04 US disclosed