SCHEMBL12604140

SCHEMBL12604140

O=P(c1cccc(-c2ccccc2)c1)(c1cccc(-c2ccccc2)c1)c1cccc(-c2cccc(P(=O)(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC8 Q9BY41 3/20 0.38
FBP1 P09467 2/20 0.37
KMO O15229 2/20 0.36
PTPN1 P18031 1/20 0.36
PTPN5 P54829 1/20 0.36
ASIC3 Q9UHC3 1/20 0.34
CYP19A1 P11511 1/20 0.34
CA2 P00918 1/20 0.34
FDPS P14324 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MAOA P21397 1/20 0.33
NOTUM Q6P988 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL19520022 0.94 KMO (0.36) MEN1RAB9AKMT2AHDAC8FBP1
SCHEMBL14731220 0.91 RAB9A (0.44) MEN1RAB9AKMT2AKMOPTPN5
SCHEMBL9927376 0.86 FBP1 (0.41) MEN1RAB9AKMT2AFBP1CA2
SCHEMBL11991069 0.85 MEN1 (0.45) MEN1RAB9AKMT2AFBP1KMO
SCHEMBL11991065 0.84 MEN1 (0.41) MEN1RAB9AKMT2AFBP1CA2
SCHEMBL10039221 0.82 HDAC8 (0.50) HDAC8KMOPTPN1PTPN5CA2
SCHEMBL11991100 0.81 MEN1 (0.54) MEN1RAB9AKMT2AHDAC8FBP1
SCHEMBL22634016 0.80 HDAC8 (0.48) HDAC8KMOPTPN1PTPN5CA2
SCHEMBL11991059 0.80 HDAC8 (0.48) HDAC8KMOPTPN1PTPN5CA2
SCHEMBL14023425 0.80 KDM4E (0.50) RAB9AGRM5

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
EP-2748878-B1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2020-04-01 EP disclosed
US-9735385-B2 Organic electroluminescence device MERCK PATENT GMBH (DE) 2017-08-15 US disclosed
US-9735385-B2 Organic electroluminescence device MERCK PATENT GMBH (DE) 2017-08-15 US disclosed
US-20110108818-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-05-12 US disclosed
US-20110108818-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-05-12 US disclosed