SCHEMBL29048673

SCHEMBL29048673

CCOc1ccccc1-c1cc(-c2ccc(-c3ccc(C)cc3C)cc2N)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.42
DHFR P00374 2/20 0.42
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
GRM5 P41594 2/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
PDE3A Q14432 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NR3C1 P04150 1/20 0.36
GCGR P47871 1/20 0.36
MAPK14 Q16539 1/20 0.36
SYK P43405 1/20 0.36
MAPK10 P53779 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TTR P02766 1/20 0.36
MAPT P10636 2/20 0.35

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
SCHEMBL29048623 0.91 ENPP3 (0.48) PTPRCDHFRENPP3ENPP1ADRA1D
SCHEMBL29048660 0.90 PTPRC (0.41) PTPRCDHFRENPP3ENPP1ADRA1D
SCHEMBL29048678 0.88 SMN1; SMN2 (0.36) DHFRALDH1A1SYKNPSR1MAPT
SCHEMBL29048617 0.82 PTPRC (0.41) PTPRCDHFRENPP3ENPP1GRM5
SCHEMBL29048669 0.79 MAPT (0.39) ENPP3ENPP1ALDH1A1NPSR1MAPT
SCHEMBL29048618 0.79 TSHR (0.37) ADORA2AALDH1A1NPSR1MAPTALOX12
SCHEMBL29048672 0.77 MAPK10 (0.45) PTPRCENPP3ENPP1ADRA1DADRA1A
SCHEMBL29048681 0.75 KDM4E (0.41) PDE3AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL29048620 0.75 ENPP3 (0.50) PTPRCENPP3ENPP1ADRA1DADRA1A
SCHEMBL29048671 0.75 ALOX5AP (0.46) PTPRCDHFRGRM5ADORA1ALDH1A1

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