SCHEMBL2969076

SCHEMBL2969076

O=P(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
THRB P10828 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PDK2 Q15119 13/20 0.33
S100A4 P26447 1/20 0.33
ITGA4 P13612 1/20 0.32

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
SCHEMBL9927121 0.95 LMNA (0.39) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL132981 0.95 LMNA (0.39) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL12016691 0.95 LMNA (0.39) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL17928303 0.95 LMNA (0.39) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL132071 0.95 LMNA (0.39) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL29865503 0.95 LMNA (0.39) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL29511972 0.95 LMNA (0.39) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL29842660 0.95 LMNA (0.39) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL30807114 0.95 LMNA (0.39) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL11991037 0.90 PDK2 (0.42) KDM4EMEN1LMNAMAPTOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776455-B2 Organic electronic devices MERCK PATENT GMBH (DE) 2010-08-17 US disclosed
US-7776455-B2 Organic electronic devices MERCK PATENT GMBH (DE) 2010-08-17 US disclosed
US-7776455-B2 Organic electronic devices MERCK PATENT GMBH (DE) 2010-08-17 US disclosed
US-20070170419-A1 Organic electronic devices MERCK PATENT GMBH (DE) 2007-07-26 US disclosed
US-20070170419-A1 Organic electronic devices MERCK PATENT GMBH (DE) 2007-07-26 US disclosed
US-20070170419-A1 Organic electronic devices MERCK PATENT GMBH (DE) 2007-07-26 US disclosed