SCHEMBL28113676

SCHEMBL28113676

Nc1c([N+](=O)[O-])ccc(C(F)(F)F)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KIF11 P52732 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
SIRT6 Q8N6T7 1/20 0.39
PDE7A Q13946 1/20 0.39
TSHR P16473 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
CYP3A4 P08684 5/20 0.38
AR P10275 3/20 0.38
ALOX15 P16050 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PGR P06401 2/20 0.38
CES2 O00748 1/20 0.38
ABCB11 O95342 1/20 0.38
GLA P06280 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
SCHEMBL7450322 0.87 PDE7A (0.45) ALDH1A1KIF11ABCC8KCNJ11PDE7A
SCHEMBL11122753 0.86 ALDH1A1 (0.45) ALDH1A1KIF11ABCC8KCNJ11SIRT6
SCHEMBL11481766 0.84 FFAR4 (0.44) ALDH1A1ABCC8KCNJ11PDE7ATSHR
SCHEMBL29222981 0.83 SIRT6 (0.42) ALDH1A1KIF11ABCC8KCNJ11SIRT6
SCHEMBL18980365 0.81 ALDH1A1 (0.40) ALDH1A1KIF11ABCC8KCNJ11PDE7A
SCHEMBL27323607 0.81 ALDH1A1 (0.43) ALDH1A1ABCC8KCNJ11PDE7ATSHR
SCHEMBL31621005 0.79 ALDH1A1 (0.53) ALDH1A1KIF11ABCC8KCNJ11SIRT6
SCHEMBL10863205 0.79 ALDH1A1 (0.53) ALDH1A1KIF11ABCC8KCNJ11SIRT6
SCHEMBL15966898 0.79 TSHR (0.49) ALDH1A1KIF11ABCC8KCNJ11SIRT6
SCHEMBL11136494 0.78 FFAR4 (0.42) ALDH1A1KIF11ABCC8KCNJ11PDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106069689-A A kind of soilless culture of flowers device and method of work thereof 徐州工程学院 2016-11-09 CN claimed
CN-106069689-A A kind of soilless culture of flowers device and method of work thereof 徐州工程学院 2016-11-09 CN disclosed