SCHEMBL29048623

SCHEMBL29048623

CCOc1ccccc1-c1cc(-c2ccc(-c3ccc(C)cc3)cc2N)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.48
ENPP1 P22413 1/20 0.48
PTPRC P08575 1/20 0.43
DHFR P00374 1/20 0.43
GRM5 P41594 2/20 0.40
SYK P43405 1/20 0.40
MAPK10 P53779 1/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 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
SCHEMBL29048673 0.91 PTPRC (0.42) ENPP3ENPP1PTPRCDHFRGRM5
SCHEMBL29048660 0.88 PTPRC (0.41) ENPP3ENPP1PTPRCDHFRGRM5
SCHEMBL29048617 0.88 PTPRC (0.41) ENPP3ENPP1PTPRCDHFRGRM5
SCHEMBL29048669 0.88 MAPT (0.39) ENPP3ENPP1MAPTALDH1A1KDM4E
SCHEMBL29048620 0.84 ENPP3 (0.50) ENPP3ENPP1PTPRCGRM5SYK
SCHEMBL29048681 0.81 KDM4E (0.41) MAPTALDH1A1KDM4EMEN1POLB
SCHEMBL29048671 0.81 ALOX5AP (0.46) PTPRCDHFRGRM5MAPTALDH1A1
SCHEMBL29048678 0.79 SMN1; SMN2 (0.36) DHFRSYKMAPTALDH1A1KDM4E
SCHEMBL29048636 0.79 DYRK1A (0.47) SYKMAPTALDH1A1KDM4EMEN1
SCHEMBL28879445 0.77 MAPK10 (0.44) ENPP3ENPP1PTPRCDHFRGRM5

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