SCHEMBL29048684

SCHEMBL29048684

CCOc1ccc(-c2cc(-c3ccc(-c4ccc(C(C)(C)C)cc4)cc3N)ccn2)c(OCC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 3/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRIN2C Q14957 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
ATM Q13315 1/20 0.34
SRC P12931 1/20 0.34
DYRK1A Q13627 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
KIF11 P52732 1/20 0.33

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
SCHEMBL29048681 0.91 KDM4E (0.41) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL29048625 0.90 MEN1 (0.36) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL29048617 0.88 PTPRC (0.41) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL29048636 0.88 DYRK1A (0.47) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL29048669 0.88 MAPT (0.39) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL29048637 0.87 KDM4E (0.38) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL29048616 0.86 CYP2D6 (0.44) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL29048683 0.86 FGFR2 (0.41) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL29048663 0.86 RAB9A (0.41) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL29048654 0.85 GABRA1 (0.40) MAPTKDM4EMEN1KMT2AL3MBTL1

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
CN-110446770-B Reversible thermochromic composition and reversible thermochromic microcapsule pigment containing the same 百乐墨水株式会社 2023-08-08 CN disclosed