SCHEMBL13284064

SCHEMBL13284064

COc1cc([N+](=O)[O-])c(CBr)cc1C=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
MAPT P10636 3/20 0.60
KDM4E B2RXH2 2/20 0.60
CYP3A4 P08684 2/20 0.60
ALOX15 P16050 1/20 0.60
PRKDC P78527 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ERN1 O75460 1/20 0.44
CYP2D6 P10635 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL29510934 0.84 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL40798 0.84 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL19331554 0.81 ALDH1A1 (0.77) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL2494035 0.78 ALDH1A1 (0.68) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL3847699 0.78 ALDH1A1 (0.67) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL19361406 0.77 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL25648839 0.77 ALDH1A1 (0.61) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL28083185 0.76 ALDH1A1 (0.48) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL211200 0.76 ALDH1A1 (1.00) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL13946710 0.75 SMN1; SMN2 (0.45) ALDH1A1MAPTKDM4ECYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190151-A1 FLUORESCENTLY LABELED NUCLEOSIDE TRIPHOSPHATES AND ANALOGS THEREOF FOR SEQUENCING NUCLEIC ACIDS CALIFORNIA INSTITUTE OF TECHNOLOGY 2010-07-29 US disclosed