SCHEMBL14003587

SCHEMBL14003587

Cc1nc(NCCO)nc(Nc2ccc(N=Nc3cc(C(=O)O)cc(C(=O)O)c3)c(C)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ SLC2A1 P11166 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KCNH3 Q9ULD8 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GBA1 P04062 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA5A P35218 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA14 Q9ULX7 2/20 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
SCHEMBL10032935 0.97 RECQL (0.44) RECQLMCL1SLC2A1PKMKMT2A
SCHEMBL10032932 0.96 RECQL (0.46) RECQLMCL1SLC2A1PKMKMT2A
SCHEMBL10032941 0.83 RAB9A (0.43) PKMKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13819513 0.83 RECQL (0.40) RECQLMCL1SLC2A1PKMKMT2A
SCHEMBL10032939 0.82 RAB9A (0.37) SLC2A1PKMKMT2AALDH1A1MAPT
SCHEMBL10032942 0.80 KMT2A (0.41) RECQLMCL1SLC2A1PKMKMT2A
SCHEMBL14159205 0.79 SLC2A1 (0.46) RECQLMCL1SLC2A1PKMKMT2A
SCHEMBL14593372 0.78 KMT2A (0.38) SLC2A1KMT2AMAPTGBA1SMN1; SMN2
SCHEMBL10032940 0.77 GBA1 (0.34) KMT2AALDH1A1MAPTGBA1SMN1; SMN2
SCHEMBL14593370 0.75 PHLPP2 (0.46) CA12CA1CA2CA9CA14

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
US-7455400-B2 Aqueous fluorescent ink, image recording method and recorded image CANON KABUSHIKI KAISHA (JP) 2008-11-25 — — US disclosed
US-7185978-B2 Recording method, ink cartridge, printing device and information recording apparatus CANON KABUSHIKI KAISHA (JP) 2007-03-06 — — US disclosed
Send feedback