SCHEMBL4777080

SCHEMBL4777080

NOP(=O)(O)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
RECQL P46063 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CTSD P07339 1/20 0.41
ESR2 Q92731 1/20 0.40
GBA1 P04062 1/20 0.40
MAPK1 P28482 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL4777063 1.00 ALDH1A1 (0.50) ALDH1A1TDP1KDM4ENPC1RAB9A
SCHEMBL30679480 0.90 ALDH1A1 (0.56) ALDH1A1TDP1KDM4ENPC1RAB9A
SCHEMBL2474284 0.90 ALDH1A1 (0.56) ALDH1A1TDP1KDM4ENPC1RAB9A
SCHEMBL2474283 0.90 ALDH1A1 (0.56) ALDH1A1TDP1KDM4ENPC1RAB9A
SCHEMBL6377821 0.87 ALDH1A1 (0.50) ALDH1A1TDP1KDM4ENPC1RAB9A
SCHEMBL9096012 0.84 ALDH1A1 (0.47) ALDH1A1TDP1KDM4ENPC1RAB9A
SCHEMBL30106402 0.83 ALDH1A1 (0.53) ALDH1A1TDP1KDM4ENPC1RAB9A
SCHEMBL36925 0.83 ALDH1A1 (0.56) ALDH1A1TDP1KDM4ENPC1RAB9A
SCHEMBL36926 0.83 ALDH1A1 (0.56) ALDH1A1TDP1KDM4ENPC1RAB9A
SCHEMBL18422374 0.83 CES2 (0.54) ALDH1A1TDP1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703445-B2 Molecular diagnostics amplification system and methods ABBOTT POINT OF CARE INC. (US) 2014-04-22 US disclosed
EP-1966366-A2 MOLECULAR DIAGNOSTICS AMPLIFICATION SYSTEM AND METHODS I-STAT CORPORATION (US) 2008-09-10 EP disclosed
WO-2007078850-A9 MOLECULAR DIAGNOSTICS AMPLIFICATION SYSTEM AND METHODS I STAT CORP (US) 2007-08-30 WO disclosed
WO-2007078850-A2 MOLECULAR DIAGNOSTICS AMPLIFICATION SYSTEM AND METHODS I-STAT CORPORATION (US) 2007-07-12 WO disclosed
US-20070154922-A1 MOLECULAR DIAGNOSTICS AMPLIFICATION SYSTEM AND METHODS I-STAT CORPORATION (US) 2007-07-05 US disclosed