SCHEMBL29048609

SCHEMBL29048609

CCOc1ccc(-c2cc(-c3ccc(Nc4ccccc4)cc3)ccn2)c(OCC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK10 P53779 1/20 0.43
FGFR2 P21802 2/20 0.41
KMT2A Q03164 4/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC2A1 P11166 1/20 0.39
MEN1 O00255 3/20 0.39
RAB9A P51151 2/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 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) KDM4ELMNATP53SMN1; SMN2MAPK10
SCHEMBL29048632 0.91 MAPT (0.43) KDM4ELMNATP53SMN1; SMN2FGFR2
SCHEMBL29048664 0.91 AGPAT2 (0.39) KDM4ELMNATP53SMN1; SMN2MAPK10
SCHEMBL29048634 0.90 MAPKAPK2 (0.42) KDM4ELMNATP53SMN1; SMN2MAPK10
SCHEMBL29048640 0.89 GCGR (0.41) KDM4ESMN1; SMN2MAPK10FGFR2GAA
SCHEMBL29048661 0.89 MAPT (0.40) KDM4ELMNATP53SMN1; SMN2MAPK10
SCHEMBL29048612 0.89 CYP2D6 (0.45) KDM4ELMNATP53SMN1; SMN2KMT2A
SCHEMBL29048626 0.89 CYP2D6 (0.44) MAPK10FGFR2CYP19A1CYP11B1CYP11B2
SCHEMBL21670540 0.88 KDM4E (0.52) KDM4ELMNATP53SMN1; SMN2MAPK10
SCHEMBL30525979 0.88 KDM4E (0.52) KDM4ELMNATP53SMN1; SMN2MAPK10

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