SCHEMBL27925232

SCHEMBL27925232

Cc1ccc2cc([N+](=O)[O-])cnc2c1C(=O)C1C(=O)CCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.40
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP6 P55212 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL27907242 0.89 HPD (0.44) HPDALDH1A1NPC1MAPTHTT
SCHEMBL27942688 0.87 HPD (0.40) HPDALDH1A1NPC1MAPTHTT
SCHEMBL27907244 0.87 HPD (0.40) HPDALDH1A1NPC1MAPTHTT
SCHEMBL27925228 0.83 CCR1 (0.45) KDM4E
SCHEMBL27925231 0.81 ALK (0.32)
SCHEMBL27907272 0.81 HPD (0.31) HPD
SCHEMBL27907239 0.81 HPD (0.43) HPDMAPTHTTKMT2AKDM4E
SCHEMBL27925235 0.76 HPD (0.43) HPDALDH1A1KMT2APOLBL3MBTL1
SCHEMBL27907241 0.76 HPD (0.43) HPDGAAKMT2APKMSMN1; SMN2
SCHEMBL27925301 0.72 CCR1 (0.43) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103891748-A Herbicide composition and application thereof VAGEAN BEIJING TECHNOLOGIES CO LTD 2014-07-02 CN claimed
CN-103621507-A Weeding compositions containing 2-(quinoline-8-yl)carbonyl-cyclohexane-1,3-dione compounds and application of weeding compositions BEIJING FAGAIYIN TECHNOLOGY CO LTD 2014-03-12 CN claimed
CN-103891748-B A kind of herbicidal composition and application thereof BEIJING FAGAIYIN TECHNOLOGY CO.,LTD. (CN) 2015-11-11 CN disclosed
CN-103891748-A Herbicide composition and application thereof VAGEAN BEIJING TECHNOLOGIES CO LTD 2014-07-02 CN disclosed
CN-103155923-A Weedicide composition containing aryloxyphenoxypropionate compound and application thereof BEIJING VAGEAN SCIENCE & TECHNOLOGY CO LTD 2013-06-19 CN disclosed