SCHEMBL23075845

SCHEMBL23075845

c1ccc2c(N3CCCN4CCCN=C43)c3ccccc3c(N3CCCN4CCCN=C43)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HDAC8 Q9BY41 3/20 0.42
HDAC4 P56524 2/20 0.42
TSHR P16473 3/20 0.41
CYP2D6 P10635 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 3/20 0.40
CYP1A2 P05177 1/20 0.39
HTT P42858 3/20 0.38
SOS1 Q07889 2/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GLA P06280 1/20 0.37

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 0.82 SIGMAR1 (0.46) POLBHDAC8HDAC4TSHRCYP2D6
SCHEMBL9131213 0.81 POLB (0.47) POLBTSHRCYP2D6MEN1KMT2A
SCHEMBL23075907 0.77 POLB (0.39) POLBHDAC8HDAC4TSHRCYP2D6
SCHEMBL23075232 0.77 POLB (0.39) POLBHDAC8HDAC4TSHRCYP2D6
SCHEMBL23075910 0.77 INMT (0.41) POLBHDAC8HDAC4TSHRCYP2D6
SCHEMBL25634457 0.77 GRIN2D (0.43) POLBTSHRCYP2D6MEN1KMT2A
SCHEMBL23075905 0.76 HPGD (0.47) POLBTSHRCYP2D6MEN1KMT2A
SCHEMBL23075835 0.76 HPGD (0.47) POLBTSHRCYP2D6MEN1KMT2A
SCHEMBL23076104 0.76 TSHR (0.41) POLBTSHRCYP2D6MEN1KMT2A
SCHEMBL26736906 0.74 POLB (0.33) POLBHDAC8HDAC4TSHRCYP2D6

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 3 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
EP-4026881-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 Nippon Hoso Kyokai (JP) 2022-07-13 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