SCHEMBL4622151

SCHEMBL4622151

C=CCn1c(C)c(C)sc1=NN

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
CYP3A4 P08684 1/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL4622144 1.00 CNR2 (0.39) CNR2CYP3A4MAPTPOLBSMN1; SMN2
SCHEMBL4620034 0.75 CNR2 (0.39) CNR2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4622136 0.74 CNR2 (0.35) CNR2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4620696 0.73 CNR2 (0.38) CNR2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4620279 0.73
SCHEMBL4620275 0.73
SCHEMBL4622249 0.72 CYP3A4 (0.46) CNR2CYP3A4MAPTPOLBSMN1; SMN2
Bromide SCHEMBL3387285 0.70 MAPT (0.44) CNR2CYP3A4MAPTPOLBSMN1; SMN2
SCHEMBL4615717 0.70 MAPT (0.55) CNR2CYP3A4MAPTPOLBSMN1; SMN2
SCHEMBL4615714 0.70 MAPT (0.55) CNR2CYP3A4MAPTPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP claimed
EP-1599179-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP claimed
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP disclosed
EP-1599179-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP disclosed
EP-1601335-A1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-12-07 EP disclosed
EP-1599179-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-11-30 EP disclosed
WO-2004078152-A1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO disclosed
WO-2004078153-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO disclosed