SCHEMBL28337651

SCHEMBL28337651

Cc1cc([N+](=O)[O-])ccc1Oc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
TSHR P16473 2/20 0.54
CYP3A4 P08684 2/20 0.54
LMNA P02545 2/20 0.54
MLNR O43193 1/20 0.54
MMP1 P03956 1/20 0.54
MPO P05164 1/20 0.54
CYP1A2 P05177 1/20 0.54
GLA P06280 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CYP19A1 P11511 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
TBXA2R P21731 1/20 0.54
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
APEX1 P27695 1/20 0.54

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
SCHEMBL1553699 0.97 MAPT (0.57) MEN1KMT2AMAPTKDM4ETSHR
SCHEMBL7885154 0.95 MAPT (0.56) MEN1KMT2AMAPTKDM4ETSHR
SCHEMBL7885152 0.94 MAPT (0.54) MEN1KMT2AMAPTKDM4ETSHR
SCHEMBL22966227 0.88 ALDH1A1 (0.54) MEN1KMT2AMAPTKDM4ETSHR
SCHEMBL28443844 0.87 TBXA2R (0.52) MEN1KMT2AMAPTKDM4ETSHR
SCHEMBL4231911 0.86 ALDH1A1 (0.54) MEN1KMT2AMAPTTSHRCYP3A4
SCHEMBL4238016 0.85 KMT2A (0.71) MEN1KMT2AMAPTKDM4ETSHR
SCHEMBL4235361 0.85 ALDH1A1 (0.51) MEN1KMT2AMAPTKDM4ETSHR
SCHEMBL22966277 0.85 TBXA2R (0.53) MEN1KMT2AMAPTKDM4ETSHR
SCHEMBL16023861 0.85 HSPB1 (0.71) MEN1KMT2AMAPTKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110452167-B Quinoline derivatives, preparation method and application thereof 东莞市东阳光农药研发有限公司 2020-08-21 CN disclosed
CN-110452167-A Quinoline derivatives and its preparation method and application DONGGUAN HEC PESTICIDE RES AND DEVELOPMENT CO LTD 2019-11-15 CN disclosed