SCHEMBL28436639

SCHEMBL28436639

CC(C)OC(=O)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 3/20 0.54
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 5/20 0.52
KMT2A Q03164 3/20 0.51
PKM P14618 2/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
TSHR P16473 1/20 0.47

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
SCHEMBL29094250 0.88 CRHBP (0.49) SMN1; SMN2MAPTCRHBPCRHR2
SCHEMBL10784983 0.84 TDP1 (0.78) SMN1; SMN2ALDH1A1TDP1MAPTKMT2A
SCHEMBL40265 0.83 TDP1 (0.70) SMN1; SMN2ALDH1A1TDP1MAPTKMT2A
SCHEMBL31549875 0.83 TDP1 (0.70) SMN1; SMN2ALDH1A1TDP1MAPTKMT2A
SCHEMBL21707985 0.82 CRHBP (0.49) SMN1; SMN2ALDH1A1TDP1MAPTKMT2A
SCHEMBL10784652 0.81 TDP1 (0.57) SMN1; SMN2ALDH1A1TDP1MAPTKMT2A
SCHEMBL339922 0.81 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1TDP1MAPTKMT2A
SCHEMBL267821 0.79 MAPT (0.65) SMN1; SMN2ALDH1A1TDP1MAPTKMT2A
SCHEMBL1186362 0.79 TDP1 (0.52) SMN1; SMN2ALDH1A1TDP1MAPTKMT2A
SCHEMBL1679953 0.79 CRHBP (0.46) SMN1; SMN2ALDH1A1TDP1MAPTKMT2A

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-111362804-A Process for preparing nitrobenzoic esters 北京颖泰嘉和生物科技股份有限公司 2020-07-03 CN disclosed