SCHEMBL27907239

SCHEMBL27907239

Cc1cnc2c(C(=O)C3C(=O)CCCC3=O)c([N+](=O)[O-])ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.43
CCR1 P32246 2/20 0.40
CCR5 P51681 2/20 0.40
CCR8 P51685 2/20 0.40
PARP1 P09874 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM5 P41594 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 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 0.87 HPD (0.44) HPDKDM4ESMN1; SMN2MEN1PKM
SCHEMBL27907241 0.86 HPD (0.43) HPDSMN1; SMN2MEN1PKMKMT2A
SCHEMBL27925235 0.86 HPD (0.43) HPDMEN1PKMKMT2A
SCHEMBL27925228 0.84 CCR1 (0.45) CCR1CCR5CCR8PARP1KDM4E
SCHEMBL27925301 0.82 CCR1 (0.43) CCR1CCR5CCR8PARP1KDM4E
SCHEMBL27907238 0.82 CCR1 (0.43) CCR1CCR5CCR8PARP1KDM4E
SCHEMBL27925232 0.81 HPD (0.40) HPDKDM4ESMN1; SMN2PKMKMT2A
SCHEMBL27942688 0.76 HPD (0.40) HPDKDM4ESMN1; SMN2MEN1PKM
SCHEMBL27907244 0.76 HPD (0.40) HPDKDM4ESMN1; SMN2MEN1PKM
SCHEMBL30792561 0.72 CCR1 (0.55) CCR1CCR5CCR8PARP1KDM4E

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