SCHEMBL8761649

SCHEMBL8761649

O=C(NS)NCCCN(CCCNC(=O)NS)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 1/20 0.44
GFER P55789 1/20 0.44
HTT P42858 3/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
EPHX1 P07099 4/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
KCNA3 P22001 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL11657606 0.77 KMT2A (0.56) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL9621989 0.76 POLB (0.60) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL8761633 0.73 MAPT (0.43) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL12513507 0.72 KMT2A (0.65) KMT2AMEN1ALDH1A1MAPTGFER
SCHEMBL18087689 0.71 USP2 (0.46) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL11663104 0.71 KMT2A (0.54) KMT2AMEN1ALDH1A1MAPTGFER
SCHEMBL1408147 0.70 MEN1 (0.42) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL9186359 0.70 KCNH2 (0.46) KMT2AMEN1KDM4E
SCHEMBL9180518 0.70 KMT2A (0.72) KMT2AMEN1ALDH1A1MAPTGFER
SCHEMBL15055497 0.70 SMN1; SMN2 (0.53) ALDH1A1MAPTNPSR1SMN1; SMN2HDAC1

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
US-5703215-A SOLID WATER SOLUBLE DYE CONTAINING ELECTROPHILIC AND NUCLEOPHILIC GROUPS, WHICH WHEN HEATED AND/OR BASIFIED CAUSES FORMATION OF COVALENT BONDS BETWEEN SAID GROUPS ON DIFFERENT MOLECULES ZENECA LIMITED (GB) 1997-12-30 US disclosed
EP-0639237-B1 DYES, THEIR PREPARATION AND USE IN THE COLORATION OF SUBSTRATES BASF AG (DE) 1997-06-04 EP disclosed
US-5474580-A Applying to substrate a mixture of water and water soluble dye containing nucleophilic and electrophilic group, heating or basifying to cause molecule of dyes to join together ZENECA LIMITED (GB) 1995-12-12 US disclosed
EP-0639237-A1 DYES, THEIR PREPARATION AND USE IN THE COLORATION OF SUBSTRATES. ZENECA LTD (GB) 1995-02-22 EP disclosed
WO-1994012717-A1 DYES, THEIR PREPARATION AND USE IN THE COLORATION OF SUBSTRATES ZENECA LIMITED (GB) 1994-06-09 WO disclosed