SCHEMBL29048632

SCHEMBL29048632

CCOc1ccc(-c2cc(-c3ccc(Nc4ccc(OC)cc4)cc3)ccn2)c(OCC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
DYRK1A Q13627 2/20 0.43
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
KDR P35968 1/20 0.41
PLK1 P53350 1/20 0.41
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
SYK P43405 3/20 0.40
FGFR2 P21802 2/20 0.40
TGFBR1 P36897 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL29048679 0.94 SYK (0.43) MAPTKDRPLK1LMNAKDM4E
SCHEMBL29048609 0.91 KDM4E (0.45) MAPTLMNAKDM4ETP53SMN1; SMN2
SCHEMBL29048664 0.91 AGPAT2 (0.39) MAPTLMNAKDM4ETP53SMN1; SMN2
SCHEMBL29048634 0.90 MAPKAPK2 (0.42) MAPTKDRPLK1LMNAKDM4E
SCHEMBL29048661 0.89 MAPT (0.40) MAPTKDRPLK1LMNAKDM4E
SCHEMBL29048612 0.89 CYP2D6 (0.45) MAPTLMNAKDM4ETP53SMN1; SMN2
SCHEMBL30525974 0.88 LMNA (0.47) MAPTPDE4BPDE4DKDRPLK1
SCHEMBL21670570 0.88 LMNA (0.47) MAPTPDE4BPDE4DKDRPLK1
SCHEMBL29048622 0.88 KDM4E (0.36) MAPTKDRPLK1LMNAKDM4E
SCHEMBL29048683 0.88 FGFR2 (0.41) MAPTKDRLMNAKDM4ETP53

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