Acetone

Acetone

SCHEMBL4452299

CC(=O)[Ir].CC(C)=O.c1ccc(-c2cc3ccccc3s2)nc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.52
▸ IKBKB O14920 7/20 0.49
▸ CHUK O15111 4/20 0.48
▸ IKBKG Q9Y6K9 4/20 0.48
▸ KDM4E B2RXH2 4/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL403651 0.87 CYP19A1 (0.60) CYP19A1IKBKBCHUKIKBKGKDM4E
SCHEMBL29415478 0.87 CYP19A1 (0.60) CYP19A1IKBKBCHUKIKBKGKDM4E
SCHEMBL49937 0.86 IKBKB (0.47) CYP19A1IKBKBCHUKIKBKGKDM4E
SCHEMBL6419090 0.86 IKBKB (0.47) CYP19A1IKBKBCHUKIKBKGKDM4E
SCHEMBL30109437 0.85 CYP19A1 (0.59) CYP19A1IKBKBCHUKIKBKGKDM4E
SCHEMBL2517455 0.85 CYP19A1 (0.59) CYP19A1IKBKBCHUKIKBKGKDM4E
SCHEMBL29675208 0.85 CYP19A1 (0.59) CYP19A1IKBKBCHUKIKBKGKDM4E
SCHEMBL6230863 0.85 CYP19A1 (0.59) CYP19A1IKBKBCHUKIKBKGKDM4E
SCHEMBL30103498 0.85 CYP19A1 (0.59) CYP19A1IKBKBCHUKIKBKGKDM4E
SCHEMBL27657937 0.85 CYP19A1 (0.59) CYP19A1IKBKBCHUKIKBKGKDM4E

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
US-20090220705-A1 METHOD FOR MANUFACTURING ORGANIC EL DISPLAY DEVICE KABUSHIKI KAISHA TOSHIBA (JP) 2009-09-03 — — US disclosed
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