SCHEMBL5009804

SCHEMBL5009804

CCCCCCCCC(=O)Oc1c(Br)[nH]c2cccc(Cl)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLM Q9NP87 2/20 0.40
POLK Q9UBT6 2/20 0.40
POLL Q9UGP5 2/20 0.40
POLH Q9Y253 2/20 0.40
HTR2A P28223 3/20 0.39
GPR17 Q13304 1/20 0.37
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 1/20 0.35
SERPINE1 P05121 1/20 0.35
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
MCL1 Q07820 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL1122199 0.84 POLM (0.40) POLMPOLKPOLLPOLHHTR2A
SCHEMBL1122190 0.81 POLM (0.41) POLMPOLKPOLLPOLHHTR2A
SCHEMBL18955905 0.79 NR4A2 (0.40) GPR17ALDH1A1MAPK1HPGDMCL1
SCHEMBL6274427 0.78 ALOX15 (0.53)
SCHEMBL15548023 0.75 POLM (0.55) POLMPOLKPOLLPOLHHTR2A
SCHEMBL15547888 0.75 POLM (0.55) POLMPOLKPOLLPOLHHTR2A
SCHEMBL15558927 0.74 GAA (0.47) EPHX2ALDH1A1MAPK1HPGDMAPT
SCHEMBL15548447 0.73 POLM (0.53) POLMPOLKPOLLPOLHHTR2A
SCHEMBL9642526 0.73 POLM (0.40) POLMPOLKPOLLPOLHKMT2A
SCHEMBL20678359 0.71 POLM (0.50) POLMPOLKPOLLPOLHKMT2A

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
EP-1978805-A1 PESTICIDAL COMPOSITION COMPRISING INDOLE DERIVATES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-10-15 EP disclosed
WO-2007085660-A1 PESTICIDAL COMPOSITION COMPRISING INDOLE DERIVATES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2007-08-02 WO disclosed