SCHEMBL3430702

SCHEMBL3430702

O=Cc1cc(F)ccc1F.O=Cc1ccc(F)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.52
ERN1 O75460 2/20 0.44
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
PLA2G7 Q13093 1/20 0.37

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
SCHEMBL65723 0.86 ERN1 (0.56) NFE2L2ERN1ALDH1A1KDM4ECES2
SCHEMBL764876 0.84 ALDH1A1 (0.44) NFE2L2ERN1ALDH1A1SMN1; SMN2MEN1
SCHEMBL29389102 0.84 ALDH1A1 (0.52) NFE2L2ALDH1A1SMN1; SMN2KDM4ECES2
SCHEMBL48607 0.84 ALDH1A1 (0.52) NFE2L2ALDH1A1SMN1; SMN2KDM4ECES2
SCHEMBL4808094 0.82 ALDH1A1 (0.50) NFE2L2ALDH1A1SMN1; SMN2KDM4ECES2
Hydrazine SCHEMBL27687525 0.80 ALDH1A1 (0.48) NFE2L2ALDH1A1SMN1; SMN2KDM4ECES2
Methylene Chloride SCHEMBL28191198 0.79 ERN1 (0.48) NFE2L2ERN1ALDH1A1SMN1; SMN2KDM4E
Methylene Chloride SCHEMBL27781503 0.76 ALDH1A1 (0.46) NFE2L2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1808937 0.76 ALDH1A1 (0.48) NFE2L2ERN1ALDH1A1SMN1; SMN2MEN1
SCHEMBL14879562 0.75 ALDH1A1 (0.49) NFE2L2ALDH1A1SMN1; SMN2MEN1KMT2A

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-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed