SCHEMBL6653050

SCHEMBL6653050

CC(O)(c1ccc(N)cc1)C(O)c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ MAPT P10636 4/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HIF1A Q16665 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ AOC3 Q16853 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PDE2A O00408 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ESRRG P62508 1/20 0.31

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
SCHEMBL8432358 0.76 NR1H4 (0.50) ALDH1A1HIF1ACYP2D6CYP2C9SMN1; SMN2
SCHEMBL8930612 0.75 AOC3 (0.50) ALDH1A1MAPK1HIF1ACYP2D6AOC3
SCHEMBL25237701 0.75 AOC3 (0.50) ALDH1A1MAPK1HIF1ACYP2D6AOC3
SCHEMBL780699 0.71 ALDH1A1 (0.48) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL13917764 0.71 ALDH1A1 (0.48) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL1811371 0.70 ESR1 (0.39) ALDH1A1MAPTHIF1AKIF11KDM4E
SCHEMBL25803048 0.68 HIF1A (0.44) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL13523895 0.68 RAB9A (0.57) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL27968502 0.68 LMNA (0.46) ALDH1A1HPGDHIF1ACYP2D6CYP2C9
SCHEMBL4278598 0.68 ADRB2 (0.40) CYP2D6CYP2C9AOC3CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004319448-A VACUUM ENVELOPE FOR IMAGE DISPLAY DEVICE, SEALANT FOR IMAGE DISPLAY DEVICE, IMAGE DISPLAY DEVICE, AND SEALING METHOD OF VACUUM ENVELOPE FOR IMAGE DISPLAY DEVICE MITSUI CHEMICALS INC 2004-11-11 — — JP disclosed
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