SCHEMBL28037486

SCHEMBL28037486

ClC(Br)c1cccc2cccnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.52
COPS5 Q92905 1/20 0.52
LMNA P02545 4/20 0.50
KDM4E B2RXH2 4/20 0.50
MMP2 P08253 2/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CCR1 P32246 2/20 0.50
CCR8 P51685 2/20 0.50
MAPT P10636 2/20 0.50
ALOX15 P16050 2/20 0.50
HTT P42858 2/20 0.50
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MMP9 P14780 1/20 0.50
NFKB1 P19838 1/20 0.50
MMP8 P22894 1/20 0.50

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
SCHEMBL9876503 0.84 PSMD14 (0.55) PSMD14COPS5LMNAKDM4EMMP2
SCHEMBL28220687 0.81 PSMD14 (0.52) PSMD14COPS5LMNAKDM4EMMP2
SCHEMBL17541536 0.81 PSMD14 (0.52) PSMD14COPS5LMNAKDM4EMMP2
SCHEMBL642704 0.81 PSMD14 (0.52) PSMD14COPS5LMNAKDM4EMMP2
SCHEMBL28220682 0.81 PSMD14 (0.52) PSMD14COPS5LMNAKDM4EMMP2
SCHEMBL27536022 0.78 PSMD14 (0.48) PSMD14COPS5LMNAKDM4EMMP2
SCHEMBL15228400 0.77 PSMD14 (0.47) PSMD14COPS5LMNAKDM4EMMP2
SCHEMBL31490195 0.76 PSMD14 (0.55) PSMD14COPS5LMNAKDM4EMMP2
SCHEMBL84502 0.76 PSMD14 (0.55) PSMD14COPS5LMNAKDM4EMMP2
SCHEMBL30667194 0.76 PSMD14 (0.55) PSMD14COPS5LMNAKDM4EMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105032321-A Device and method used for producing quinmerac from 3,8-dimethyl-7-chloroquinoline via oxidation HENAN YINGTAI AGROCHEMICAL CO LTD 2015-11-11 CN disclosed