SCHEMBL3262052

SCHEMBL3262052

NCCC(=O)c1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.53
CYP3A4 P08684 3/20 0.53
ALDH1A1 P00352 3/20 0.53
ALOX15 P16050 1/20 0.53
RORC P51449 1/20 0.49
GAA P10253 2/20 0.49
THRB P10828 1/20 0.49
RAB9A P51151 3/20 0.47
NPC1 O15118 1/20 0.47
ATM Q13315 1/20 0.47
MITF O75030 1/20 0.47
HTT P42858 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL9044256 0.82 TDP1 (0.54) TDP1CYP3A4ALDH1A1ALOX15RORC
SCHEMBL639675 0.80 KMO (0.50) TDP1CYP3A4ALDH1A1ALOX15GAA
SCHEMBL20876159 0.80 TDP1 (0.46) TDP1CYP3A4ALDH1A1ALOX15RORC
SCHEMBL9543018 0.80 KMO (0.50) TDP1CYP3A4ALDH1A1ALOX15GAA
SCHEMBL465890 0.80 KMO (0.50) TDP1CYP3A4ALDH1A1ALOX15GAA
Hydrochloric Acid SCHEMBL11310889 0.79 KMO (0.49) TDP1CYP3A4ALDH1A1ALOX15GAA
Hydrochloric Acid SCHEMBL10950905 0.79 KMO (0.49) TDP1CYP3A4ALDH1A1ALOX15GAA
Bromide SCHEMBL10946974 0.79 KMO (0.49) TDP1CYP3A4ALDH1A1ALOX15GAA
Water SCHEMBL6282445 0.79 KMO (0.49) TDP1CYP3A4ALDH1A1ALOX15GAA
Iodide SCHEMBL10947423 0.79 KMO (0.49) TDP1CYP3A4ALDH1A1ALOX15GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216802-B2 Detection medium for gram negative bacteria BIOMERIEUX (FR) 2012-07-10 US disclosed
US-20100062466-A1 MEDIUM FOR THE DETECTION AND/OR IDENTIFICATION OF BACTERIA BIOMERIEUX (FR) 2010-03-11 US disclosed
EP-2111460-A2 MEDIUM FOR THE DETECTION AND/OR IDENTIFICATION OF BACTERIA BIOMERIEUX (FR) 2009-10-28 EP disclosed
WO-2008104679-A2 MEDIUM FOR THE DETECTION AND/OR IDENTIFICATION OF BACTERIA bioMérieux (FR) 2008-09-04 WO disclosed