SCHEMBL29048636

SCHEMBL29048636

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.47
LMNA P02545 5/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GPR35 Q9HC97 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.39
SYK P43405 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 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
SCHEMBL29048681 0.94 KDM4E (0.41) DYRK1ALMNAMAPTKDM4EHPGD
SCHEMBL29048669 0.91 MAPT (0.39) DYRK1ALMNAMAPTKDM4EHPGD
SCHEMBL29048637 0.90 KDM4E (0.38) DYRK1ALMNAMAPTKDM4EHPGD
SCHEMBL29048663 0.89 RAB9A (0.41) DYRK1ALMNAMAPTKDM4EHPGD
SCHEMBL29048616 0.89 CYP2D6 (0.44) LMNAMAPTKDM4EHPGDTP53
SCHEMBL29048625 0.88 MEN1 (0.36) DYRK1ALMNAMAPTKDM4EHPGD
SCHEMBL29048654 0.88 GABRA1 (0.40) DYRK1ALMNAMAPTKDM4EHPGD
SCHEMBL29048684 0.88 MAPT (0.36) DYRK1ALMNAMAPTKDM4EHPGD
SCHEMBL29048675 0.87 CYP2D6 (0.42) MAPTKDM4EHPGDMEN1KMT2A
SCHEMBL29048632 0.85 MAPT (0.43) DYRK1ALMNAMAPTKDM4ENPSR1

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