SCHEMBL24156142

SCHEMBL24156142

CC1(C)c2ccccc2-c2ccc(Nc3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5ccccc5c3-4)cc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.36
DNMT1 P26358 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 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
SCHEMBL23658887 0.93 PDK2 (0.39) PDK2DNMT1ALDH1A1CYP3A4HPGD
SCHEMBL18311931 0.89 PDK2 (0.47) PDK2DNMT1ALDH1A1CYP3A4HPGD
SCHEMBL31114615 0.89 PDK2 (0.47) PDK2DNMT1ALDH1A1CYP3A4HPGD
SCHEMBL15505785 0.88 PDK2 (0.38) PDK2DNMT1ALDH1A1CYP3A4HPGD
SCHEMBL17070709 0.87 PDK2 (0.37) PDK2DNMT1ALDH1A1CYP3A4HPGD
SCHEMBL15505758 0.86 MAPK14 (0.34) PDK2ALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL17070675 0.86 PDK2 (0.36) PDK2DNMT1ALDH1A1CYP3A4HPGD
SCHEMBL807850 0.84 PDK2 (0.47) PDK2ALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL29462250 0.84 PDK2 (0.47) PDK2ALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL22245933 0.84 PDK2 (0.39) PDK2ALDH1A1CYP3A4HPGDHSD17B10

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
WO-2021261851-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2021-12-30 WO disclosed