SCHEMBL27738271

SCHEMBL27738271

O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
MYC P01106 1/20 0.49
MAX P61244 1/20 0.49
CES2 O00748 1/20 0.49
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MAPT P10636 4/20 0.47
HSP90AA1 P07900 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
CASP6 P55212 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL27759110 0.97 CRHBP (0.51) CRHBPCRHR2MYCMAXCES2
SCHEMBL1509253 0.87 CA1 (0.56) CES2CA1CA2MAPTALDH1A1
SCHEMBL5958789 0.85 HSP90AA1 (0.59) CRHBPCRHR2CES2MAPTHSP90AA1
SCHEMBL11571696 0.81 MEN1 (0.46) MYCMAXCES2CTSVCTSL
SCHEMBL7822479 0.80 ALDH1A1 (0.50) CES2CTSVCTSLCA1CA2
SCHEMBL593074 0.79 TSHR (0.60) CRHBPCRHR2MAPTALDH1A1TDP1
SCHEMBL16586317 0.79 TDP1 (0.55) CRHBPCRHR2MAPTHSP90AA1ALDH1A1
SCHEMBL11630367 0.79 EIF4E (0.45) CES2CTSVCTSLCA1CA2
Trinitrophenol SCHEMBL27955220 0.78 CRHBP (0.79) CRHBPCRHR2CA1CA2MAPT
SCHEMBL28576792 0.78 MAPT (0.53) MYCMAXCTSVCTSLMAPT

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-101419363-B Big tilt angle silicon-containing alkyl polyimide liquid crystal orientation film and method for making same UNIV SICHUAN 2010-12-15 CN disclosed
CN-101419363-A Big tilt angle silicon-containing alkyl polyimide liquid crystal orientation film and method for making same UNIV SICHUAN (CN) 2009-04-29 CN disclosed