SCHEMBL29048672

SCHEMBL29048672

CCOc1ccccc1-c1cc(-c2ccc(Nc3ccc(C)cc3C)cc2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.45
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
DHODH Q02127 2/20 0.38
TGFBR1 P36897 2/20 0.38
MAPKAPK2 P49137 2/20 0.38
MAP4K4 O95819 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
TTR P02766 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AGPAT2 O15120 1/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PTPRC P08575 1/20 0.36

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
SCHEMBL21670514 0.89 ENPP3 (0.47) ENPP3ENPP1DHODHNPSR1AGPAT2
SCHEMBL30526033 0.89 ENPP3 (0.47) ENPP3ENPP1DHODHNPSR1AGPAT2
SCHEMBL29048620 0.89 ENPP3 (0.50) MAPK10ENPP3ENPP1ADRA1DADRA1A
SCHEMBL29048676 0.88 MAPT (0.41) MAPK10DHODHMAPKAPK2TP53MAPT
SCHEMBL29048658 0.87 MAPK10 (0.44) MAPK10ENPP3ENPP1ADRA1DADRA1A
SCHEMBL29048635 0.84 MAPK10 (0.49) MAPK10ENPP3ENPP1MAPKAPK2CCNT1
SCHEMBL29048613 0.80 MAPK10 (0.44) MAPK10ENPP3ENPP1TGFBR1CCNT1
SCHEMBL21670546 0.78 ENPP3 (0.55) ENPP3ENPP1AGPAT2TP53MAPT
SCHEMBL21670522 0.77 MAPT (0.42) DHODHAGPAT2TP53MAPT
SCHEMBL29048673 0.77 PTPRC (0.42) MAPK10ENPP3ENPP1ADRA1DADRA1A

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