SCHEMBL23075907

SCHEMBL23075907

c1cc(N2CCCN3CCCN=C32)cc(N2CCCN3CCCN=C32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
TSHR P16473 3/20 0.37
CYP2D6 P10635 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SOS1 Q07889 2/20 0.37
HDAC8 Q9BY41 6/20 0.35
HDAC5 Q9UQL6 3/20 0.35
HDAC7 Q8WUI4 1/20 0.35
CYP1A2 P05177 1/20 0.35
ADRA2C P18825 1/20 0.35
HDAC4 P56524 3/20 0.35
LMNA P02545 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35

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
SCHEMBL23075776 0.89 DHFR (0.37) POLBTSHRCYP2D6L3MBTL1CYP3A4
SCHEMBL23076104 0.89 TSHR (0.41) POLBTSHRCYP2D6L3MBTL1CYP3A4
SCHEMBL991696 0.88 SIGMAR1 (0.46) POLBTSHRCYP2D6L3MBTL1CYP3A4
SCHEMBL23075778 0.87 HPGD (0.38) POLBTSHRCYP2D6L3MBTL1CYP3A4
SCHEMBL29312031 0.82 ADRA2C (0.41) ADRA2CLMNA
SCHEMBL31090511 0.80 ADORA2A (0.34) POLBTSHRCYP2D6L3MBTL1CYP3A4
SCHEMBL23075906 0.80 PDK2 (0.34) POLBTSHRCYP2D6L3MBTL1CYP3A4
SCHEMBL23075232 0.79 POLB (0.39) POLBTSHRCYP2D6L3MBTL1CYP3A4
SCHEMBL23075774 0.79 PIM1 (0.34) POLBTSHRCYP2D6L3MBTL1CYP3A4
SCHEMBL23075870 0.78 TSHR (0.37) POLBTSHRCYP2D6L3MBTL1CYP3A4

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