SCHEMBL5782168

SCHEMBL5782168

O=C(COc1ccccc1)Nc1ccc(CN2C(=O)SC(=Cc3cccc(O)c3O)C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ NSD2 O96028 1/20 0.55
▸ HSP90AA1 P07900 1/20 0.55
▸ APOBEC3G Q9HC16 1/20 0.55
▸ HTT P42858 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ PTPN1 P18031 9/20 0.49
▸ ACP1 P24666 7/20 0.47
▸ PTPN2 P17706 4/20 0.47
▸ PTPRF P10586 2/20 0.47
▸ PTPRB P23467 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ ENPP2 Q13822 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL5782161 1.00 KMT2A (0.55) KMT2AMEN1NSD2HSP90AA1APOBEC3G
SCHEMBL5464240 0.87 MEN1 (0.61) KMT2AMEN1NSD2HSP90AA1APOBEC3G
SCHEMBL5464235 0.87 MEN1 (0.61) KMT2AMEN1NSD2HSP90AA1APOBEC3G
SCHEMBL5470522 0.86 PTPN1 (0.54) KMT2AMEN1NSD2HSP90AA1APOBEC3G
SCHEMBL5470519 0.86 PTPN1 (0.54) KMT2AMEN1NSD2HSP90AA1APOBEC3G
SCHEMBL5468585 0.86 MEN1 (0.59) KMT2AMEN1NSD2HSP90AA1APOBEC3G
SCHEMBL5468591 0.86 MEN1 (0.59) KMT2AMEN1NSD2HSP90AA1APOBEC3G
SCHEMBL5462470 0.84 PTPN1 (0.59) KMT2AMEN1NSD2HSP90AA1APOBEC3G
SCHEMBL5462464 0.84 PTPN1 (0.59) KMT2AMEN1NSD2HSP90AA1APOBEC3G
SCHEMBL5472001 0.80 MEN1 (0.69) KMT2AMEN1NSD2HSP90AA1APOBEC3G

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
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 — — EP disclosed
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