SCHEMBL28879445

SCHEMBL28879445

CCOc1ccccc1-c1cc(-c2ccc(N(C)C)cc2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.44
PTPRC P08575 1/20 0.42
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
TTR P02766 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GCGR P47871 1/20 0.41
MAPK14 Q16539 1/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
BCL2 P10415 1/20 0.40
BAX Q07812 1/20 0.40
PIP4K2A P48426 1/20 0.39
LTB4R Q15722 1/20 0.39
DHFR P00374 1/20 0.39
GRM5 P41594 1/20 0.39
USP2 O75604 2/20 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
SCHEMBL967279 0.87 ENPP1 (0.46) PTPRCENPP3ENPP1TTRNPSR1
SCHEMBL29430001 0.87 ENPP1 (0.46) PTPRCENPP3ENPP1TTRNPSR1
SCHEMBL28337515 0.85 LMNA (0.40) MAPK10MAPTSMN1; SMN2BCL2BAX
SCHEMBL17255094 0.82 LTB4R (0.53) PTPRCENPP3ENPP1LTB4RDHFR
SCHEMBL29430014 0.82 LTB4R (0.53) PTPRCENPP3ENPP1LTB4RDHFR
SCHEMBL29048635 0.81 MAPK10 (0.49) MAPK10PTPRCENPP3ENPP1TTR
SCHEMBL29048620 0.79 ENPP3 (0.50) MAPK10PTPRCENPP3ENPP1TTR
SCHEMBL29048623 0.77 ENPP3 (0.48) MAPK10PTPRCENPP3ENPP1TTR
SCHEMBL25189794 0.77 ENPP1 (0.44) PTPRCENPP3ENPP1TTRNPSR1
SCHEMBL8622002 0.77 LTB4R (0.47) GCGRMAPK14LTB4RKDM4E

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118339237-A Reversible thermochromic microcapsule pigments 株式会社百乐 2024-07-12 CN disclosed
CN-113646052-B Reversible thermochromic composition, reversible thermochromic microcapsule pigment, and writing instrument 百乐墨水株式会社 2024-05-17 CN disclosed
CN-116209725-A Reversible thermochromic composition and reversible thermochromic microcapsule pigment having the same encapsulated therein 百乐墨水株式会社 2023-06-02 CN disclosed
CN-113785023-B Water-based ink composition for reversible thermochromic writing instrument, refill for refill and water-based ballpoint pen incorporating same 株式会社百乐 2023-05-12 CN disclosed
CN-110325618-B Thermochromic color-memory composition and thermochromic color-memory microcapsule pigment encapsulating same 百乐墨水株式会社 2023-01-10 CN disclosed
CN-111263795-B Reversible thermal discoloration aqueous ink composition and writing instrument using the same 株式会社百乐 2022-05-03 CN disclosed
CN-113785023-A Water-based ink composition for reversible thermal discoloration writing instrument, refill containing the same, and water-based ballpoint pen 株式会社百乐 2021-12-10 CN disclosed
CN-113767159-A Reversible thermochromic microcapsule pigments 百乐墨水株式会社 2021-12-07 CN disclosed
CN-113646052-A Reversible thermal discoloration composition, reversible thermal discoloration microcapsule pigment encapsulating the reversible thermal discoloration composition, and writing instrument using the reversible thermal discoloration microcapsule pigment 百乐墨水株式会社 2021-11-12 CN disclosed
CN-111263795-A Reversible thermal discoloration aqueous ink composition and writing instrument using the same 株式会社百乐 2020-06-09 CN disclosed
CN-107922831-B Thermochromic color-memory composition and thermochromic color-memory microcapsule pigment encapsulating same 百乐墨水株式会社 2019-12-17 CN disclosed