SCHEMBL5708474

SCHEMBL5708474

CC(=O)NN=c1oc2ccccc2n1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.62
KCNQ2 O43526 1/20 0.62
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.39
HTT P42858 3/20 0.39
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MDM2 Q00987 1/20 0.38
PAX8 Q06710 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 2/20 0.36
MAPK1 P28482 2/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
IDO1 P14902 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL5708538 0.81 KCNQ3 (0.44) KCNQ3KCNQ2KMT2AMEN1HTT
SCHEMBL5708494 0.77 KCNQ3 (0.50) KCNQ3KCNQ2KMT2AMEN1HTT
SCHEMBL2518002 0.75 KCNQ3 (0.49) KCNQ3KCNQ2LMNAALDH1A1NPC1
SCHEMBL2518009 0.75 KCNQ3 (0.49) KCNQ3KCNQ2LMNAALDH1A1NPC1
SCHEMBL2520354 0.75 KCNQ3 (0.49) KCNQ3KCNQ2LMNAALDH1A1NPC1
SCHEMBL2518006 0.75 KCNQ3 (0.49) KCNQ3KCNQ2LMNAALDH1A1NPC1
SCHEMBL5281385 0.73 KCNQ3 (0.46) KCNQ3KCNQ2KMT2AMEN1HTT
SCHEMBL4615936 0.72 KCNQ3 (0.44) KCNQ3KCNQ2KMT2AMEN1MAPT
SCHEMBL4615937 0.72 KCNQ3 (0.44) KCNQ3KCNQ2KMT2AMEN1MAPT
SCHEMBL6340566 0.67 KMT2A (1.00) KCNQ3KCNQ2KMT2AMEN1MAPT

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