SCHEMBL10032932

SCHEMBL10032932

Cc1cc(Nc2nc(NCCO)nc(Nc3ccc(Nc4nc(NCCO)nc(Nc5ccc(N=Nc6cc(C(=O)O)cc(C(=O)O)c6)c(C)c5)n4)cc3)n2)ccc1N=Nc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ KCNH3 Q9ULD8 1/20 0.43
▸ SLC2A1 P11166 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ PKM P14618 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GBA1 P04062 2/20 0.41
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA5A P35218 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA14 Q9ULX7 2/20 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
SCHEMBL10032935 0.99 RECQL (0.44) RECQLMCL1KCNH3SLC2A1ALDH1A1
SCHEMBL14003587 0.96 RECQL (0.42) RECQLMCL1KCNH3SLC2A1ALDH1A1
SCHEMBL10032941 0.85 RAB9A (0.43) ALDH1A1PKMKMT2AMAPTSMN1; SMN2
SCHEMBL10032939 0.84 RAB9A (0.37) SLC2A1ALDH1A1PKMKMT2AMAPT
SCHEMBL10032942 0.81 KMT2A (0.41) RECQLMCL1SLC2A1ALDH1A1PKM
SCHEMBL14593372 0.80 KMT2A (0.38) SLC2A1KMT2AGBA1MAPTSMN1; SMN2
SCHEMBL14159205 0.79 SLC2A1 (0.46) RECQLMCL1KCNH3SLC2A1ALDH1A1
SCHEMBL13819513 0.79 RECQL (0.40) RECQLMCL1KCNH3SLC2A1ALDH1A1
SCHEMBL10032940 0.78 GBA1 (0.34) ALDH1A1KMT2AGBA1MAPTSMN1; SMN2
SCHEMBL10032934 0.78 RECQL (0.39) RECQLMCL1KCNH3ALDH1A1GBA1

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-8205980-B2 Liquid composition, ink-jet recording process, ink-jet recording ink set, recording unit, ink cartridge, ink-jet recording apparatus, and ink-jet recording ink CANON KABUSHIKI KAISHA (JP) 2012-06-26 — — US disclosed
US-20080174643-A1 LIQUID COMPOSITION, INK-JET RECORDING PROCESS, INK-JET RECORDING INK SET, RECORDING UNIT, INK CARTRIDGE, INK-JET RECORDING APPARATUS, AND INK-JET RECORDING INK CANON KABUSHIKI KAISHA (JP) 2008-07-24 — — US disclosed
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