SCHEMBL8032376

SCHEMBL8032376

COc1ccc(NC(=N)S)cn1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.56
MEN1 O00255 7/20 0.56
KDM4E B2RXH2 4/20 0.56
MAPT P10636 3/20 0.56
RAB9A P51151 5/20 0.55
NPC1 O15118 3/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 1/20 0.55
PABPC1 P11940 4/20 0.54
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50

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
SCHEMBL9954855 0.83 KMT2A (0.56) KMT2AMEN1KDM4EMAPTRAB9A
SCHEMBL6954710 0.79 KMT2A (0.49) KMT2AMEN1KDM4EMAPTRAB9A
SCHEMBL10482836 0.78 KMT2A (0.51) KMT2AMEN1KDM4EMAPTRAB9A
SCHEMBL10417850 0.77 KMT2A (0.58) KMT2AMEN1KDM4EMAPTRAB9A
SCHEMBL6846376 0.77 KMT2A (0.58) KMT2AMEN1KDM4EMAPTRAB9A
SCHEMBL31129249 0.77 KMT2A (0.67) KMT2AMEN1KDM4EMAPTRAB9A
SCHEMBL50309 0.77 KMT2A (0.67) KMT2AMEN1KDM4EMAPTRAB9A
SCHEMBL10404298 0.77 KMT2A (0.67) KMT2AMEN1KDM4EMAPTRAB9A
SCHEMBL3761569 0.77 KMT2A (0.68) KMT2AMEN1KDM4EMAPTRAB9A
SCHEMBL4678745 0.76 KDM4E (0.52) KMT2AMEN1KDM4EMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984938-A1 CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2000-03-15 EP disclosed
EP-0984936-A1 CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2000-03-15 EP disclosed
WO-1998054141-A1 CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1998-12-03 WO disclosed
WO-1998054144-A1 CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1998-12-03 WO disclosed