SCHEMBL29048620

SCHEMBL29048620

CCOc1ccccc1-c1cc(-c2ccc(Nc3ccc(C)cc3)cc2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.50
ENPP1 P22413 1/20 0.50
MAPK10 P53779 1/20 0.47
AGPAT2 O15120 1/20 0.43
SYK P43405 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
GRM5 P41594 1/20 0.40
MAPT P10636 2/20 0.40
PTPRC P08575 1/20 0.40
GCGR P47871 1/20 0.39
MAPK14 Q16539 1/20 0.39
TTR P02766 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CCNT1 O60563 3/20 0.39
CDK9 P50750 3/20 0.39
MAPKAPK2 P49137 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL29048635 0.93 MAPK10 (0.49) ENPP3ENPP1MAPK10AGPAT2PTPRC
SCHEMBL29048672 0.89 MAPK10 (0.45) ENPP3ENPP1MAPK10AGPAT2ADRA1D
SCHEMBL29048658 0.89 MAPK10 (0.44) ENPP3ENPP1MAPK10AGPAT2ADRA1D
SCHEMBL21670546 0.88 ENPP3 (0.55) ENPP3ENPP1AGPAT2SYKGRM5
SCHEMBL29048613 0.87 MAPK10 (0.44) ENPP3ENPP1MAPK10PTPRCGCGR
SCHEMBL29048664 0.86 AGPAT2 (0.39) ENPP3ENPP1MAPK10AGPAT2SYK
SCHEMBL29048623 0.84 ENPP3 (0.48) ENPP3ENPP1MAPK10SYKADRA1D
SCHEMBL29048609 0.81 KDM4E (0.45) MAPK10SYKMAPTNPSR1MAPKAPK2
SCHEMBL21670536 0.80 AGPAT2 (0.48) ENPP3ENPP1AGPAT2PTPRCALDH1A1
SCHEMBL30525972 0.80 AGPAT2 (0.48) ENPP3ENPP1AGPAT2PTPRCALDH1A1

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