SCHEMBL28589516

SCHEMBL28589516

Cc1ccc(Cl)cc1NOc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ RAPGEF4 Q8WZA2 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ LMNA P02545 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ NPY1R P25929 1/20 0.43
▸ NPY2R P49146 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL28594371 0.80 ALDH1A1 (0.50) MAPTHTTLMNAKDM4ENPC1
SCHEMBL13909756 0.73 RAPGEF4 (0.58) MAPTHTTRAPGEF4PKMLMNA
SCHEMBL11233430 0.69 CYP1A2 (0.58) MAPTLMNANPSR1SMN1; SMN2L3MBTL1
SCHEMBL633344 0.69 HTT (0.54) MAPTHTTLMNANPC1RAB9A
SCHEMBL9232234 0.69 RAPGEF4 (0.57) MAPTRAPGEF4LMNAKDM4EPOLB
SCHEMBL27924446 0.69 RAPGEF4 (0.57) MAPTRAPGEF4LMNAKDM4EPOLB
SCHEMBL11287941 0.67 RAPGEF4 (0.55) MAPTHTTRAPGEF4LMNAKDM4E
SCHEMBL6821181 0.67 GAA (0.59) MAPTRAPGEF4LMNAKDM4EPOLB
SCHEMBL1068813 0.67 GAA (0.65) MAPTHTTLMNAPOLBGAA
SCHEMBL1437599 0.67 GAA (0.50) MAPTHTTLMNAKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112852220-B Aqueous ink, ink cartridge, and ink jet recording method 佳能株式会社 2023-01-31 — — CN disclosed
CN-112852220-A Aqueous ink, ink cartridge, and ink jet recording method 佳能株式会社 2021-05-28 — — CN disclosed
Send feedback