SCHEMBL5708494

SCHEMBL5708494

Cn1c(=NNC=O)oc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.50
KCNQ2 O43526 1/20 0.50
ALDH1A1 P00352 9/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 5/20 0.33
MAPK1 P28482 3/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 3/20 0.33
TSHR P16473 2/20 0.33
POLB P06746 2/20 0.33
USP2 O75604 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR3 P46089 1/20 0.33
LMNA P02545 4/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
HTT P42858 1/20 0.33
MDM2 Q00987 1/20 0.33

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
SCHEMBL5708517 0.79 KDM4E (0.37) KCNQ3KCNQ2ALDH1A1NPSR1MAPK1
SCHEMBL5708474 0.77 KCNQ3 (0.62) KCNQ3KCNQ2ALDH1A1MAPTMAPK1
SCHEMBL2518002 0.76 KCNQ3 (0.49) KCNQ3KCNQ2ALDH1A1NPSR1MAPK1
SCHEMBL2518009 0.76 KCNQ3 (0.49) KCNQ3KCNQ2ALDH1A1NPSR1MAPK1
SCHEMBL2518006 0.76 KCNQ3 (0.49) KCNQ3KCNQ2ALDH1A1NPSR1MAPK1
SCHEMBL2520354 0.76 KCNQ3 (0.49) KCNQ3KCNQ2ALDH1A1NPSR1MAPK1
SCHEMBL4615936 0.73 KCNQ3 (0.44) KCNQ3KCNQ2ALDH1A1NPSR1MAPT
SCHEMBL4615937 0.73 KCNQ3 (0.44) KCNQ3KCNQ2ALDH1A1NPSR1MAPT
SCHEMBL5281385 0.68 KCNQ3 (0.46) KCNQ3KCNQ2ALDH1A1NPSR1MAPT
SCHEMBL5281384 0.68 KCNQ3 (0.46) KCNQ3KCNQ2ALDH1A1NPSR1MAPT

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-1599179-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP claimed
EP-1599179-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-11-30 EP claimed
WO-2004078153-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO claimed
EP-1599179-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP disclosed