SCHEMBL20404990

SCHEMBL20404990

C=C/C(=C\C=C/C)c1nc(-c2ccccc2)nc(-c2c(-c3ccc(-c4ccc5oc6ccccc6c5c4)c4ccccc34)ccc3ccccc23)n1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL18818766 0.83 KDM4E (0.41) SIRT2SIRT1KDM4EALDH1A1MAPT
SCHEMBL20404867 0.78 MEN1 (0.34) KDM4EALDH1A1MAPTHPGD
SCHEMBL25679964 0.77 KDM4E (0.40) SIRT2SIRT1KDM4EALDH1A1MAPT
SCHEMBL22260602 0.75 — —
SCHEMBL24314348 0.75 ALDH1A1 (0.33) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL23759328 0.75 KDM4E (0.42) SIRT2SIRT1KDM4EALDH1A1MAPT
SCHEMBL21574705 0.74 L3MBTL1 (0.41) ALDH1A1MAPTHPGDALOX15TSHR
SCHEMBL23759320 0.74 KDM4E (0.41) SIRT2SIRT1KDM4EALDH1A1MAPT
SCHEMBL25679974 0.74 KDM4E (0.40) SIRT2SIRT1KDM4EALDH1A1MAPT
SCHEMBL25950252 0.73 CHEK2 (0.35) —

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-3351536-A1 ORGANIC LIGHT-EMITTING DEVICE LG Chem, Ltd. (KR) 2018-07-25 — — EP disclosed
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