SCHEMBL5708563

SCHEMBL5708563

CCCCCCn1c(=NNC=O)sc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.52
CNR2 P34972 4/20 0.52
KMT2A Q03164 2/20 0.43
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40

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
SCHEMBL5708572 0.95 CNR1 (0.48) CNR1CNR2KMT2AKCNQ3KCNQ2
SCHEMBL5708522 0.84 KCNQ3 (0.53) CNR1CNR2KMT2AKCNQ3KCNQ2
SCHEMBL5708502 0.82 KMT2A (0.63) CNR1CNR2KMT2AKCNQ3KCNQ2
SCHEMBL4614097 0.79 CNR1 (0.55) CNR1CNR2KMT2A
SCHEMBL4614096 0.79 CNR1 (0.55) CNR1CNR2KMT2A
SCHEMBL5708477 0.77 KMT2A (0.62) KMT2AKCNQ3KCNQ2
SCHEMBL5708519 0.77 KMT2A (0.66) CNR1CNR2KMT2AKCNQ3KCNQ2
SCHEMBL5708530 0.76 SMN1; SMN2 (0.44) KMT2AKCNQ3KCNQ2
SCHEMBL5278256 0.75 CNR1 (0.55) CNR1CNR2KMT2A
SCHEMBL5278253 0.75 CNR1 (0.55) CNR1CNR2KMT2A

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 6 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
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