SCHEMBL6572107

SCHEMBL6572107

Nc1ccc(NCCCc2ncc[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.47
TAAR1 Q96RJ0 2/20 0.46
NAMPT P43490 7/20 0.46
KLK1 P06870 1/20 0.45
KLK5 Q9Y337 1/20 0.45
TBXAS1 P24557 2/20 0.41
PTH1R Q03431 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
APP P05067 1/20 0.36
PBK Q96KB5 1/20 0.35
FPR2 P25090 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
SCHEMBL4774136 0.85 TERT (0.47) TERTTAAR1NAMPTKLK1KLK5
SCHEMBL4779375 0.82 TERT (0.47) TERTTAAR1NAMPTKLK1KLK5
SCHEMBL5163649 0.81 TERT (0.41) TERTTAAR1NAMPTKLK1KLK5
SCHEMBL6298733 0.81 TAAR1 (0.70) TERTTAAR1KLK1KLK5PTH1R
Hydrochloric Acid SCHEMBL6304644 0.80 TAAR1 (0.68) TERTTAAR1KLK1KLK5PTH1R
SCHEMBL5191160 0.79 ALDH1A1 (0.48) TERTTAAR1
SCHEMBL5526585 0.79 TERT (0.47) TERTTAAR1NAMPTKLK1KLK5
SCHEMBL7011089 0.76 NAMPT (0.65) NAMPT
SCHEMBL4779626 0.75 TERT (0.58) TERTTAAR1NAMPTKLK1KLK5
SCHEMBL27220846 0.75 TERT (0.56) TERTTAAR1NAMPTTBXAS1PBK

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-1438294-A1 DEVELOPER CONSTITUENTS AND THEIR USE FOR DYING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-21 EP claimed
WO-2003037875-A1 DEVELOPER CONSTITUENTS AND THEIR USE FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-05-08 WO claimed
EP-1438294-A1 DEVELOPER CONSTITUENTS AND THEIR USE FOR DYING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-21 EP disclosed
WO-2003037875-A1 DEVELOPER CONSTITUENTS AND THEIR USE FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-05-08 WO disclosed