SCHEMBL2581020

SCHEMBL2581020

Cc1cc(C)c([N+](=O)[O-])c([N+](=O)[O-])c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 4/20 0.48
CYP1A2 P05177 2/20 0.45
TSHR P16473 7/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL11140774 0.90 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28420852 0.87 ALDH1A1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14020980 0.86 ALDH1A1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4918988 0.85 TDP1 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9121102 0.82 CYP1A2 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL304097 0.82 CYP1A2 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11821507 0.80 GPR35 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9793418 0.80 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2049193 0.80 GPR35 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22804722 0.80 CYP1A2 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8545683-B2 Systems and methods for integrated detection Arizona Board Of Regent For And On Behalf of Arizona State University (US) 2013-10-01 US claimed
US-20110266161-A1 SYSTEMS AND METHODS FOR INTEGRATED DETECTION ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2011-11-03 US claimed
WO-2010030874-A1 SYSTEMS AND METHODS FOR INTEGRATED DETECTION ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2010-03-18 WO claimed
US-8545683-B2 Systems and methods for integrated detection Arizona Board Of Regent For And On Behalf of Arizona State University (US) 2013-10-01 US disclosed
US-20110266161-A1 SYSTEMS AND METHODS FOR INTEGRATED DETECTION ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2011-11-03 US disclosed
WO-2010030874-A1 SYSTEMS AND METHODS FOR INTEGRATED DETECTION ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2010-03-18 WO disclosed