SCHEMBL4701387

SCHEMBL4701387

O=C(O)c1c(Cl)c2cc(Br)ccc2n1-c1ccc(OC2CCCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.36
EDNRA P25101 3/20 0.36
HRH3 Q9Y5N1 5/20 0.36
KCNH2 Q12809 3/20 0.36
PARP10 Q53GL7 1/20 0.34
ACACB O00763 2/20 0.34
MAPK8 P45983 1/20 0.34
PPARG P37231 2/20 0.34
MAOB P27338 1/20 0.34
APP P05067 1/20 0.34
EDNRB P24530 1/20 0.34

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
SCHEMBL3577481 0.87 EPHX2 (0.36) EPHX2EDNRAHRH3KCNH2PARP10
SCHEMBL3567412 0.86 MAPT (0.42) MAOB
SCHEMBL4912750 0.84 EPHX2 (0.41) EPHX2HRH3KCNH2PARP10PPARG
SCHEMBL4914765 0.83 ACACB (0.39) EDNRAHRH3KCNH2ACACB
SCHEMBL4922019 0.81 EPHX2 (0.36) EPHX2HRH3KCNH2PARP10MAPK8
SCHEMBL4922516 0.80 EPHX2 (0.44) EPHX2PPARG
SCHEMBL3583067 0.80 KMO (0.38) EDNRAHRH3KCNH2PPARGAPP
SCHEMBL3003353 0.80 HRH3 (0.39) HRH3KCNH2
SCHEMBL4922648 0.78 MEN1 (0.37) EPHX2EDNRAACACBPPARG
SCHEMBL3571629 0.77 EGLN1 (0.40) KCNH2ACACBMAPK8APP

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
EP-1778632-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-08-20 EP disclosed