SCHEMBL26638313

SCHEMBL26638313

CC(C#N)=c1ccc(=C(C)C#N)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRB2 P47870 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 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
SCHEMBL14153942 0.92 TDP1 (0.30) TDP1
SCHEMBL18622816 0.89 MEN1 (0.30) TDP1KMT2AMEN1MAPTLMNA
SCHEMBL26242175 0.85 NOS3 (0.32) KMT2AMEN1ALDH1A1MAPTNOS3
SCHEMBL25763278 0.75 MEN1 (0.33) TDP1KMT2AMEN1MAPTLMNA
SCHEMBL18086831 0.69 TDP1 (0.41) TDP1
SCHEMBL13100475 0.69 TDP1 (0.31) TDP1KMT2AMEN1MAPTLMNA
SCHEMBL13406147 0.67 MAPT (0.37) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL28137055 0.67 MAPT (0.35) TDP1KMT2AMEN1ALDH1A1MAPT
SCHEMBL1501109 0.65 MEN1 (0.34) TDP1KMT2AMEN1ALDH1A1MAPT
SCHEMBL1051092 0.65 MEN1 (0.34) TDP1KMT2AMEN1ALDH1A1MAPT

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
US-20230345749-A1 QUANTUM DOT, METHOD OF PREPARING THE SAME, AND INK COMPOSITION, LIGHT-EMITTING DEVICE, OPTICAL MEMBER, AND APPARATUS INCLUDING THE QUANTUM DOT SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-26 US disclosed