SCHEMBL10404298

SCHEMBL10404298

COC(=O)Nc1ccc(OC)nc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.67
MEN1 O00255 8/20 0.67
MAPT P10636 3/20 0.67
KDM4E B2RXH2 2/20 0.67
RAB9A P51151 6/20 0.65
NPC1 O15118 4/20 0.65
LMNA P02545 4/20 0.65
ALDH1A1 P00352 2/20 0.65
HTT P42858 1/20 0.65
PABPC1 P11940 5/20 0.63
POLB P06746 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.58
NPSR1 Q6W5P4 1/20 0.56
USP2 O75604 1/20 0.55

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
SCHEMBL31129249 1.00 KMT2A (0.67) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL3761569 0.86 KMT2A (0.68) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL50309 0.86 KMT2A (0.67) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL2748441 0.85 KMT2A (0.58) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL29764668 0.85 KMT2A (0.58) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL7886661 0.85 KMT2A (0.62) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL22773569 0.84 KMT2A (0.65) KMT2AMEN1MAPTKDM4ERAB9A
Hydrochloric Acid SCHEMBL38658753 0.84 KMT2A (0.66) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL590618 0.83 KMT2A (0.61) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL12049704 0.83 KMT2A (0.68) KMT2AMEN1MAPTKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1157968-A None JP disclosed
US-4931451-A Fungicidal pyridyl sulfenyl carbamates ICI AMERICAS INC. (US) 1990-06-05 US disclosed
JP-H01157968-A FUNGICIDAL PYRIDYLSULFENYLCARBAMATE AND ITS SALT ICI AMERICAS INC 1989-06-21 JP disclosed
EP-0314432-A2 Fungicidal pyridyl sulphenyl carbamates ICI AMERICAS INC. (US) 1989-05-03 EP disclosed
EP-0314431-A2 Fungicidal pyridyl carbamates ICI AMERICAS INC. (US) 1989-05-03 EP disclosed
US-4800205-A Fungicidal pyridyl sulfenyl carbamates ICI AMERICAS INC. 1989-01-24 US disclosed
US-4797407-A PYRIDYL CARBAMATES AND THIO OR DITHIOCARBAMATES ICI AMERICAS INC. (US) 1989-01-10 US disclosed