SCHEMBL28043702

SCHEMBL28043702

O=C(CF)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.51
ALDH1A1 P00352 6/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 2/20 0.48
GPR35 Q9HC97 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
TTR P02766 3/20 0.47
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
PMP22 Q01453 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 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
SCHEMBL11228939 0.85 ALDH1A1 (0.48) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL468371 0.85 ALDH1A1 (0.51) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10071375 0.85 TTR (0.50) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6120526 0.85 ALDH1A1 (0.48) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11502554 0.84 TTR (0.48) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL27768435 0.82 BCL9 (0.62) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10876591 0.82 CYP1A2 (0.64) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL1220299 0.82 ALDH1A1 (0.55) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL427368 0.82 ALDH1A1 (0.55) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL29379815 0.82 ALDH1A1 (0.55) HSPB1ALDH1A1MAPTMEN1KMT2A

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
CN-105087018-A Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element YANTAI DEYING ELECTRONIC MATERIAL CO LTD 2015-11-25 CN disclosed