SCHEMBL29048615

SCHEMBL29048615

CCOc1ccc(-c2cc(-c3ccc(Nc4c(C)cc(C)cc4C)cc3)ccn2)c(OCC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.38
SYK P43405 2/20 0.37
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX5 P09917 1/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
POLB P06746 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK10 P53779 1/20 0.35
RAB9A P51151 2/20 0.34

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
SCHEMBL21670567 0.89 KDM4E (0.41) RAPGEF4SYKKDM4ELMNATP53
SCHEMBL29048664 0.89 AGPAT2 (0.39) SYKKDM4ELMNATP53SMN1; SMN2
SCHEMBL29048679 0.88 SYK (0.43) SYKKDM4ELMNATP53SMN1; SMN2
SCHEMBL29048676 0.88 MAPT (0.41) SYKKDM4ELMNATP53SMN1; SMN2
SCHEMBL29048658 0.87 MAPK10 (0.44) RAPGEF4LMNANPSR1MAPK10ALDH1A1
SCHEMBL29048609 0.85 KDM4E (0.45) SYKKDM4ELMNATP53SMN1; SMN2
SCHEMBL29048632 0.85 MAPT (0.43) SYKKDM4ELMNATP53SMN1; SMN2
SCHEMBL29048634 0.84 MAPKAPK2 (0.42) SYKKDM4ELMNATP53SMN1; SMN2
SCHEMBL29048661 0.83 MAPT (0.40) SYKKDM4ELMNATP53SMN1; SMN2
SCHEMBL29048612 0.83 CYP2D6 (0.45) SYKKDM4ELMNATP53SMN1; 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