SCHEMBL27697199

SCHEMBL27697199

COc1c(OC(=O)O)cc(Cc2ccccc2)c([N+](=O)[O-])c1OC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CTSD P07339 1/20 0.39
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
HPGD P15428 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
SCHEMBL6513679 0.77 HPGD (0.42) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL6513683 0.77 HPGD (0.42) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL48069 0.73 CYP19A1 (0.49) SMN1; SMN2LMNAHTTALDH1A1KMT2A
SCHEMBL48068 0.73 CYP19A1 (0.49) SMN1; SMN2LMNAHTTALDH1A1KMT2A
SCHEMBL6896028 0.70 NCEH1 (0.41) HTTALDH1A1POLBKMT2AMEN1
SCHEMBL8073542 0.70 PKM (0.59) PKMSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL13778148 0.70 PKM (0.49) PKMSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL28175682 0.69 PKM (0.70) PKMSMN1; SMN2LMNAHTTALDH1A1
Bromide SCHEMBL4220110 0.69 PKM (0.48) PKMSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL9646497 0.69 PKM (0.51) PKMSMN1; SMN2LMNAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102171181-A N- (alpha-aryl-substituted-2-nitro-4, 5-dialkoxybenzyloxycarbonyl) amine compound and process for producing the same SHOWA DENKO KK 2011-08-31 CN disclosed
CN-101137620-B Alkali proliferating agent and alkali-reactive curable composition SEKISUI CHEMICAL CO LTD 2011-05-25 CN disclosed
CN-101137620-A Alkali proliferating agent and alkali-reactive curable composition SEKISUI CHEMICAL CO LTD (JP) 2008-03-05 CN disclosed