SCHEMBL28129762

SCHEMBL28129762

Nc1ccc(-c2ccc(N)c(Oc3ccc([N+](=O)[O-])cc3)c2)cc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
MAPT P10636 5/20 0.55
ALDH1A1 P00352 4/20 0.55
PDE7A Q13946 1/20 0.54
HSPB1 P04792 3/20 0.53
HTT P42858 2/20 0.51
TDP1 Q9NUW8 3/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL27739212 0.89 MEN1 (0.57) MEN1KMT2AMAPTALDH1A1PDE7A
SCHEMBL8104896 0.81 HSPB1 (0.56) MEN1KMT2AMAPTALDH1A1PDE7A
SCHEMBL19950759 0.81 ALDH1A1 (0.65) MEN1KMT2AMAPTALDH1A1PDE7A
SCHEMBL27732206 0.80 MAPT (0.68) MEN1KMT2AMAPTALDH1A1PDE7A
SCHEMBL10337156 0.80 HTT (0.60) MEN1KMT2AMAPTALDH1A1PDE7A
SCHEMBL10939518 0.78 HTT (0.72) MEN1KMT2AMAPTALDH1A1PDE7A
SCHEMBL3208134 0.78 HSPB1 (0.70) MEN1KMT2AMAPTALDH1A1HSPB1
SCHEMBL28051442 0.78 HSPB1 (0.70) MEN1KMT2AMAPTALDH1A1HSPB1
SCHEMBL28129601 0.77 KMT2A (0.59) MEN1KMT2AMAPTALDH1A1PDE7A
SCHEMBL5148186 0.76 ALDH1A1 (0.56) MEN1KMT2AMAPTALDH1A1PDE7A

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-106366313-B A kind of transparent polyimide film and preparation method thereof 南京理工大学 2018-10-02 CN claimed
CN-106366313-A Colorless transparent polyimide film and preparation method thereof 南京理工大学 2017-02-01 CN disclosed