SCHEMBL23075889

SCHEMBL23075889

c1cc(N(c2ccc(N3CCCN4CCCN=C43)cc2)c2ccc(N3CCCN4CCCN=C43)cc2)ccc1N1CCCN2CCCN=C21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP1A2 P05177 1/20 0.35
TSHR P16473 4/20 0.34
LMNA P02545 1/20 0.34
HDAC8 Q9BY41 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TERT O14746 2/20 0.32
HTT P42858 2/20 0.31
SOS1 Q07889 2/20 0.31
HDAC4 P56524 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
SCHEMBL991696 0.83 SIGMAR1 (0.46) POLBCYP2D6CYP3A4CYP2C19CYP1A2
SCHEMBL23076104 0.80 TSHR (0.41) POLBCYP2D6CYP3A4CYP2C19CYP1A2
SCHEMBL23075907 0.78 POLB (0.39) POLBCYP2D6CYP3A4CYP2C19CYP1A2
SCHEMBL23075906 0.75 PDK2 (0.34) POLBCYP2D6CYP3A4CYP2C19TSHR
SCHEMBL23075774 0.74 PIM1 (0.34) POLBCYP2D6CYP3A4CYP2C19TSHR
SCHEMBL23076106 0.74 IP6K1 (0.35) POLBCYP2D6CYP3A4CYP2C19TSHR
SCHEMBL23075870 0.73 TSHR (0.37) POLBCYP2D6CYP3A4CYP2C19CYP1A2
SCHEMBL23075845 0.72 POLB (0.43) POLBCYP2D6CYP3A4CYP2C19CYP1A2
SCHEMBL23075232 0.71 POLB (0.39) POLBCYP2D6CYP3A4CYP2C19CYP1A2
SCHEMBL13116674 0.71 SIGMAR1 (0.53) POLBTSHRALDH1A1MEN1KMT2A

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-4266393-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, LIGHTING DEVICE, AND METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENT ELEMENT Nippon Shokubai Co., Ltd. (JP) 2023-10-25 EP disclosed
WO-2021045178-A1 ORGANIC THIN FILM AND METHOD FOR PRODUCING ORGANIC THIN FILM, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, LIGHTING DEVICE, ORGANIC THIN FILM SOLAR CELL, PHOTOELECTRIC CONVERSION ELEMENT, THIN FILM TRANSISTOR, COATING COMPOSITION AND MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS 日本放送協会 2021-03-11 WO disclosed