SCHEMBL49937

SCHEMBL49937

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 7/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ CHUK O15111 4/20 0.46
▸ IKBKG Q9Y6K9 4/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ GLA P06280 1/20 0.42

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
SCHEMBL6419090 1.00 IKBKB (0.47) IKBKBCYP19A1CHUKIKBKGHDAC3
Acetoacetic Acid SCHEMBL27249029 0.90 IKBKB (0.44) IKBKBCYP19A1CHUKIKBKGHDAC3
SCHEMBL4612312 0.89 IKBKB (0.43) IKBKBCYP19A1CHUKIKBKGHDAC3
SCHEMBL18393502 0.89 IKBKB (0.43) IKBKBCYP19A1CHUKIKBKGHDAC3
SCHEMBL9942280 0.89 IKBKB (0.43) IKBKBCYP19A1CHUKIKBKGHDAC3
Acetone SCHEMBL4452299 0.86 CYP19A1 (0.52) IKBKBCYP19A1CHUKIKBKGHDAC3
SCHEMBL6230863 0.86 CYP19A1 (0.59) IKBKBCYP19A1CHUKIKBKGKDM4E
SCHEMBL30109437 0.86 CYP19A1 (0.59) IKBKBCYP19A1CHUKIKBKGKDM4E
SCHEMBL2517455 0.86 CYP19A1 (0.59) IKBKBCYP19A1CHUKIKBKGKDM4E
SCHEMBL27657937 0.86 CYP19A1 (0.59) IKBKBCYP19A1CHUKIKBKGKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129903-B2 Organic electroluminescent display device KABUSHIKI KAISHA TOSHIBA (JP) 2012-03-06 — — US disclosed
US-20110223319-A1 METHOD OF FABRICATING ELECTROLUMINESCENCE DISPLAY KABUSHIKI KAISHA TOSHIBA (JP) 2011-09-15 — — US disclosed
US-20090243484-A1 ORGANIC ELECTROLUMINESCENT DISPLAY DEVICE KABUSHIKI KAISHA TOSHIBA (JP) 2009-10-01 — — US disclosed
US-20090220705-A1 METHOD FOR MANUFACTURING ORGANIC EL DISPLAY DEVICE KABUSHIKI KAISHA TOSHIBA (JP) 2009-09-03 — — US disclosed
CN-1934909-A Material for organic electroluminescent element and organic electroluminescent element using the same IDEMITSU KOSAN CO (JP) 2007-03-21 — — CN disclosed
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