SCHEMBL29048652

SCHEMBL29048652

CCCc1ccc(Nc2ccc(-c3ccnc(-c4ccc(OCC)cc4OCC)c3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SYK P43405 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPK10 P53779 1/20 0.36
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
THRB P10828 1/20 0.35
AGPAT2 O15120 2/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
CYP19A1 P11511 1/20 0.33
KDR P35968 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
SCHEMBL29048621 0.94 MAPT (0.41) MAPTKDM4ELMNATP53SMN1; SMN2
SCHEMBL29048627 0.93 MAPT (0.45) MAPTKDM4ELMNATP53SMN1; SMN2
SCHEMBL29048649 0.92 MAPT (0.44) MAPTKDM4ELMNATP53SMN1; SMN2
SCHEMBL29048634 0.91 MAPKAPK2 (0.42) MAPTKDM4ELMNATP53SMN1; SMN2
SCHEMBL29048679 0.91 SYK (0.43) MAPTKDM4ELMNATP53SMN1; SMN2
SCHEMBL30526021 0.89 KDM4E (0.42) MAPTKDM4ELMNATP53SMN1; SMN2
SCHEMBL21670545 0.89 KDM4E (0.42) MAPTKDM4ELMNATP53SMN1; SMN2
SCHEMBL29048661 0.88 MAPT (0.40) MAPTKDM4ELMNATP53SMN1; SMN2
SCHEMBL29048612 0.88 CYP2D6 (0.45) MAPTKDM4ELMNATP53SMN1; SMN2
SCHEMBL29048664 0.88 AGPAT2 (0.39) MAPTKDM4ELMNATP53SMN1; SMN2

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