SCHEMBL11280920

SCHEMBL11280920

O=C(Nc1ccccc1)Nc1ccc(OC(=O)CCCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.52
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 1/20 0.48
BLM P54132 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
HDAC3 O15379 4/20 0.47
HDAC4 P56524 4/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC7 Q8WUI4 4/20 0.47
HDAC2 Q92769 4/20 0.47
HDAC10 Q969S8 4/20 0.47
HDAC11 Q96DB2 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC9 Q9UKV0 4/20 0.47
HDAC5 Q9UQL6 4/20 0.47
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
MAOA P21397 1/20 0.44

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
SCHEMBL11275519 0.89 ALDH1A1 (0.50) MEN1KMT2APOLBHDAC3HDAC4
SCHEMBL11276667 0.89 PRSS1 (0.45) PPARAMEN1KMT2APOLBBLM
SCHEMBL11278162 0.88 NPC1 (0.51) MEN1KMT2APOLBCTDSP1HDAC3
SCHEMBL11283331 0.87 KMT2A (0.52) MEN1KMT2APOLBCTDSP1HDAC1
SCHEMBL15455405 0.85 PRSS1 (0.52) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL11285274 0.83 KMT2A (0.53) MEN1KMT2APOLBHDAC1GAA
SCHEMBL11284845 0.83 PPARA (0.58) PPARAMEN1KMT2APOLBBLM
SCHEMBL14838825 0.77 PRSS1 (0.48) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL19129557 0.77 KMT2A (0.46) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL17325084 0.77 PRSS1 (0.48) MEN1KMT2AHDAC3HDAC4HDAC1

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-4309441-A HYPOTENSIVE AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-01-05 US disclosed