SCHEMBL25880376

SCHEMBL25880376

Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2N(c2ccccc2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.43
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 1/20 0.42
PGR P06401 2/20 0.38
CES2 O00748 1/20 0.35
BCHE P06276 1/20 0.35
GAA P10253 1/20 0.35
CES1 P23141 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
ELANE P08246 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
NR1H3 Q13133 1/20 0.32

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
SCHEMBL10039054 0.92 PDK2 (0.41) PDK2ALDH1A1KDM4EHSD17B10PGR
SCHEMBL2754775 0.88 PGR (0.43) PDK2ALDH1A1KDM4EHSD17B10PGR
SCHEMBL15183636 0.88 PDK2 (0.39) PDK2ALDH1A1KDM4EHSD17B10PGR
SCHEMBL12354656 0.87 PGR (0.41) PDK2ALDH1A1KDM4EHSD17B10PGR
SCHEMBL24145278 0.87 PDK2 (0.41) PDK2ALDH1A1KDM4EHSD17B10PGR
SCHEMBL24285475 0.87 PDK2 (0.47) PDK2ALDH1A1KDM4EHSD17B10PGR
SCHEMBL15183658 0.87 ALDH1A1 (0.43) PDK2ALDH1A1KDM4EHSD17B10PGR
SCHEMBL4399743 0.86 ALDH1A1 (0.41) PDK2ALDH1A1KDM4EHSD17B10PGR
SCHEMBL12354654 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EPGRCES2BCHE
SCHEMBL15183634 0.86 PGR (0.42) PDK2ALDH1A1KDM4EHSD17B10PGR

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-4216697-A1 ORGANIC ELECTRIC ELEMENT, DISPLAY PANEL COMPRISING THE SAME AND DISPLAY DEVICE COMPRISING THE SAME LG Display Co., Ltd. (KR) 2023-07-26 EP disclosed