SCHEMBL12856595

SCHEMBL12856595

O=C(c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(C(=O)c3ccccc3F)cc21)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 11/20 0.48
▸ ALDH1A1 P00352 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GMNN O75496 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TTR P02766 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ BLM P54132 1/20 0.41

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
SCHEMBL13423247 0.91 PDK2 (0.43) PDK2ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL134286 0.84 PDK2 (0.58) PDK2THRBTDP1
SCHEMBL29114 0.84 PDK2 (0.58) PDK2THRBTDP1
SCHEMBL134285 0.84 PDK2 (0.58) PDK2THRBTDP1
SCHEMBL4237494 0.84 CDC25B (0.58) PDK2ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL12337045 0.82 PDK2 (0.60) PDK2ALDH1A1THRBCYP2C9TDP1
SCHEMBL132972 0.82 ALDH1A1 (0.48) PDK2ALDH1A1HSD17B10MAPK14CDC25A
SCHEMBL29307110 0.82 PDK2 (0.48) PDK2ALDH1A1HSD17B10MEN1MAPT
SCHEMBL12864226 0.82 ALDH1A1 (0.44) PDK2ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL1553214 0.82 PDK2 (0.50) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2281861-A2 Mixture of organic emission-enabled semiconductors and matrix materials, use of same and electronic components containing same Merck Patent GmbH (DE) 2011-02-09 — — EP disclosed
US-7345301-B2 Mixtures of matrix materials and organic semiconductors capable of emission, use of the same and electronic components containing said mixtures MERCK PATENT GMBH (DE) 2008-03-18 — — US disclosed
US-7345301-B2 Mixtures of matrix materials and organic semiconductors capable of emission, use of the same and electronic components containing said mixtures MERCK PATENT GMBH (DE) 2008-03-18 — — US disclosed
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