SCHEMBL29636432

SCHEMBL29636432

CC(C)(C)c1ccc2c(c1)Oc1ccccc1N2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 10/20 0.59
▸ HTR2B P41595 2/20 0.43
▸ KIF11 P52732 2/20 0.41
▸ HTR7 P34969 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ ATG4B Q9Y4P1 1/20 0.36
▸ DHODH Q02127 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
SCHEMBL21628219 1.00 ALOX5 (0.59) ALOX5HTR2BKIF11HTR7L3MBTL1
SCHEMBL21628210 0.91 ALOX5 (0.41) ALOX5HTR2BKIF11L3MBTL1GAA
SCHEMBL29636462 0.91 ALOX5 (0.41) ALOX5HTR2BKIF11L3MBTL1GAA
SCHEMBL21628218 0.90 ALOX5 (0.59) ALOX5HTR2BKIF11HTR7GAA
SCHEMBL28324259 0.87 ALOX5 (0.52) ALOX5HTR2BKIF11HTR7NPC1
SCHEMBL30811586 0.83 KIF11 (0.49) ALOX5KIF11L3MBTL1NPC1ALDH1A1
SCHEMBL27344289 0.83 KIF11 (0.49) ALOX5KIF11L3MBTL1NPC1ALDH1A1
SCHEMBL29636446 0.83 ALOX5 (0.59) ALOX5HTR2BKIF11HTR7GAA
SCHEMBL18614108 0.83 ALOX5 (0.59) ALOX5HTR2BKIF11HTR7GAA
SCHEMBL30811571 0.81 ACE2 (0.49) ALOX5KIF11L3MBTL1NPC1ALDH1A1

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
EP-4237498-A1 COMPOSITIONS COMPRISING LEUCO COMPOUNDS AND COLORANTS Milliken & Company (US) 2023-09-06 — — EP disclosed
WO-2022093189-A1 COMPOSITIONS COMPRISING LEUCO COMPOUNDS AND COLORANTS MILLIKEN & COMPANY (US) 2022-05-05 — — WO disclosed
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