SCHEMBL29048635

SCHEMBL29048635

CCOc1ccccc1-c1cc(-c2ccc(Nc3ccccc3)cc2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.49
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
AGPAT2 O15120 1/20 0.42
CCNT1 O60563 4/20 0.41
CDK9 P50750 4/20 0.41
PTPRC P08575 1/20 0.41
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
PDE10A Q9Y233 1/20 0.41
ATM Q13315 1/20 0.41
MAPKAPK2 P49137 1/20 0.40
TTR P02766 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GCGR P47871 1/20 0.40
MAPK14 Q16539 1/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 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
SCHEMBL29048620 0.93 ENPP3 (0.50) MAPK10AGPAT2CCNT1CDK9PTPRC
SCHEMBL29048613 0.90 MAPK10 (0.44) MAPK10CCNT1CDK9PTPRCENPP3
SCHEMBL29048609 0.88 KDM4E (0.45) MAPK10MEN1KMT2AMAPKAPK2NPSR1
SCHEMBL21670536 0.87 AGPAT2 (0.48) MEN1KMT2AAGPAT2PTPRCENPP3
SCHEMBL30525972 0.87 AGPAT2 (0.48) MEN1KMT2AAGPAT2PTPRCENPP3
SCHEMBL29048658 0.86 MAPK10 (0.44) MAPK10AGPAT2CCNT1CDK9PTPRC
SCHEMBL29048672 0.84 MAPK10 (0.45) MAPK10AGPAT2CCNT1CDK9PTPRC
SCHEMBL29048679 0.81 SYK (0.43) MAPK10MEN1KMT2ANPSR1ALDH1A1
SCHEMBL28879445 0.81 MAPK10 (0.44) MAPK10PTPRCENPP3ENPP1TTR
SCHEMBL21670546 0.80 ENPP3 (0.55) MEN1KMT2AAGPAT2PTPRCENPP3

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