SCHEMBL28075702

SCHEMBL28075702

CC(C)(C)OC(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
KMT2A Q03164 6/20 0.49
MEN1 O00255 4/20 0.49
LMNA P02545 5/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 2/20 0.47
HTT P42858 2/20 0.47
WDR5 P61964 1/20 0.45
ALOX5 P09917 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CES2 O00748 1/20 0.44
MAPK1 P28482 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL7196335 0.87 MAPT (0.51) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL30676217 0.84 SMN1; SMN2 (0.47) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL2349630 0.84 KMT2A (0.56) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL7594732 0.83 SMN1; SMN2 (0.54) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL2703465 0.80 ALDH1A1 (0.54) MAPTKMT2ALMNAALDH1A1GAA
SCHEMBL655856 0.79 MEN1 (0.56) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL10033297 0.79 HTT (0.50) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL14691594 0.79 HPGD (0.61) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL29534282 0.79 HPGD (0.61) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL27406857 0.79 MAPT (0.61) MAPTKMT2AMEN1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563144-A Compound (I) M3生物技术公司 2019-04-02 CN disclosed
CN-106165684-A Pesticidal compositions and methods relating thereto 陶氏益农公司 2016-11-30 CN disclosed
CN-105980918-A LIQUID-CRYSTAL-ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME 日产化学工业株式会社 2016-09-28 CN disclosed
CN-103748089-B Pesticidal compositions and methods relating thereto 陶氏益农公司 2016-08-17 CN disclosed