SCHEMBL9631394

SCHEMBL9631394

O=C(O)/C(=C\F)c1ccc(Br)c(Br)c1Br

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.32
CYP1A2 P05177 1/20 0.31
EIF2AK2 P19525 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30

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
SCHEMBL9631398 1.00 ERN1 (0.32) ERN1CYP1A2EIF2AK2CSNK2A2CSNK2B
SCHEMBL9629950 0.81 EIF2AK2 (0.41) EIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL9629952 0.81 EIF2AK2 (0.41) EIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL3226979 0.75 CYP1A2 (0.31) ERN1CYP1A2
SCHEMBL607237 0.73 CYP1A2 (0.48) ERN1CYP1A2
SCHEMBL29045172 0.71 CYP1A2 (0.46) ERN1CYP1A2
SCHEMBL2521671 0.69 ERN1 (0.30) ERN1CYP1A2
SCHEMBL27393762 0.69 ERN1 (0.38) ERN1
SCHEMBL10498403 0.67 ALDH1A1 (0.35) ERN1
SCHEMBL11815709 0.67 ALDH1A1 (0.37) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269821-B1 OPTICAL WAVEGUIDE HOECHST AKTIENGESELLSCHAFT (DE) 1992-04-01 EP disclosed
EP-0269821-A1 Optical waveguide HOECHST AKTIENGESELLSCHAFT (DE) 1988-06-08 EP disclosed
EP-0267459-A1 Transparent polymers HOECHST AKTIENGESELLSCHAFT (DE) 1988-05-18 EP disclosed