SCHEMBL20829086

SCHEMBL20829086

CC1(C)OB(c2ccccc2Nc2ccccc2)OC1(C)I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ TDP1 Q9NUW8 4/20 0.36
▸ GAA P10253 3/20 0.36
▸ GLA P06280 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ ALDH1A1 P00352 7/20 0.35
▸ LMNA P02545 3/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ LPL P06858 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ ALOX15 P16050 4/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33

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
SCHEMBL20829056 0.89 LPL (0.43) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL20829077 0.81 LIPG (0.54) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL20829075 0.77 KDM4E (0.38) MAPTKDM4EGAAALDH1A1LPL
SCHEMBL20829080 0.75 LIPE (0.40) GLAALDH1A1LPLLIPGATM
SCHEMBL20829073 0.75 LPL (0.36) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL20552809 0.74 LIPE (0.52) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL30544066 0.74 LIPE (0.52) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL29714934 0.73 NPSR1 (0.41) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL23045913 0.73 LPL (0.46) LPLLIPGLIPE
SCHEMBL22196987 0.72 LIPG (0.58) LPLLIPG

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-3681890-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-08-18 — — EP disclosed
WO-2019052933-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-03-21 — — WO disclosed
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