SCHEMBL29048613

SCHEMBL29048613

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.44
TRPV1 Q8NER1 2/20 0.38
FGFR2 P21802 1/20 0.38
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
PTPRC P08575 1/20 0.38
FABP3 P05413 1/20 0.37
POLB P06746 1/20 0.37
GCGR P47871 1/20 0.37
MAPK14 Q16539 1/20 0.37
ALPL P05186 1/20 0.37
CCNT1 O60563 3/20 0.37
CDK9 P50750 3/20 0.37
TTR P02766 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE3A Q14432 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 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
SCHEMBL29048635 0.90 MAPK10 (0.49) MAPK10FGFR2ENPP3ENPP1PTPRC
SCHEMBL30525963 0.89 ENPP1 (0.41) ENPP3ENPP1PTPRCFABP3PDE3A
SCHEMBL21670583 0.89 ENPP1 (0.41) ENPP3ENPP1PTPRCFABP3PDE3A
SCHEMBL29048620 0.87 ENPP3 (0.50) MAPK10ENPP3ENPP1PTPRCGCGR
SCHEMBL29048683 0.87 FGFR2 (0.41) MAPK10FGFR2POLBLMNATGFBR1
SCHEMBL29048617 0.85 PTPRC (0.41) MAPK10TRPV1ENPP3ENPP1PTPRC
SCHEMBL29048658 0.81 MAPK10 (0.44) MAPK10ENPP3ENPP1PTPRCGCGR
SCHEMBL29048672 0.80 MAPK10 (0.45) MAPK10ENPP3ENPP1PTPRCCCNT1
SCHEMBL29048609 0.79 KDM4E (0.45) MAPK10FGFR2POLBNPSR1LMNA
SCHEMBL29048643 0.78 FGFR2 (0.50) FGFR2CCNT1CDK9TGFBR1

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