SCHEMBL1664757

SCHEMBL1664757

O=[N+]([O-])c1ccc(NN=Cc2ccncc2)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
KMT2A Q03164 11/20 0.62
MEN1 O00255 10/20 0.62
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
SMN1; SMN2 Q16637 7/20 0.60
LMNA P02545 3/20 0.60
MAPT P10636 9/20 0.56
CYP2C9 P11712 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
MCL1 Q07820 1/20 0.55
MAPK1 P28482 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
HTT P42858 2/20 0.53
GAA P10253 3/20 0.50

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
Hydrochloric Acid SCHEMBL1664915 0.99 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL30677901 0.86 MAPT (0.74) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL22261609 0.86 MAPT (0.74) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL22261610 0.86 MAPT (0.74) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL28827217 0.84 MAPT (0.62) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL28330096 0.84 KMT2A (0.69) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL15875089 0.81 MAPT (0.72) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL31329328 0.81 MAPT (0.72) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL28689490 0.80 KMT2A (0.73) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL14832107 0.79 KMT2A (0.73) ALDH1A1KMT2AMEN1NPC1RAB9A

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-20110086429-A1 METHODS AND DEVICES FOR DETECTING OZONE AND CARBONYL-CONTAINING COMPOUNDS SIGMA-ALDRICH CO. (US) 2011-04-14 US claimed
EP-2232254-A1 METHODS AND DEVICES FOR SIMULTANEOUSLY DETECTING OZONE AND CARBONYL- CONTAINING COMPOUNDS Sigma-Aldrich Co. (US) 2010-09-29 EP claimed
WO-2009086304-A1 METHODS AND DEVICES FOR SIMULTANEOUSLY DETECTING OZONE AND CARBONYL- CONTAINING COMPOUNDS SIGMA-ALDRICH CO. (US) 2009-07-09 WO claimed
US-20110086429-A1 METHODS AND DEVICES FOR DETECTING OZONE AND CARBONYL-CONTAINING COMPOUNDS SIGMA-ALDRICH CO. (US) 2011-04-14 US disclosed
EP-2232254-A1 METHODS AND DEVICES FOR SIMULTANEOUSLY DETECTING OZONE AND CARBONYL- CONTAINING COMPOUNDS Sigma-Aldrich Co. (US) 2010-09-29 EP disclosed
WO-2009086304-A1 METHODS AND DEVICES FOR SIMULTANEOUSLY DETECTING OZONE AND CARBONYL- CONTAINING COMPOUNDS SIGMA-ALDRICH CO. (US) 2009-07-09 WO disclosed