SCHEMBL6940377

SCHEMBL6940377

COc1c(N)ccc(N(CCO)Cc2cc(N)ccc2N)c1CCO

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.32
ACHE P22303 1/20 0.31
CYP19A1 P11511 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 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
SCHEMBL6740217 0.93 PRKCI (0.32) PRKCIACHECYP19A1GAAMAPT
SCHEMBL6740448 0.84 PRKCI (0.33) PRKCIACHE
SCHEMBL6940259 0.81 PRKCI (0.34) PRKCIACHE
SCHEMBL6742840 0.81 PRKCI (0.31) PRKCIACHE
SCHEMBL6945325 0.80 PRKCI (0.36) PRKCIACHE
SCHEMBL6738491 0.79 PRKCI (0.31) PRKCIACHE
SCHEMBL11866227 0.71 CYP2D6 (0.36) CYP19A1GAAMAPTTSHRMAPK1
SCHEMBL6734735 0.71 MAPT (0.41) GAAMAPTTSHRMAPK1HTT
SCHEMBL7494519 0.69 TDP1 (0.38) PRKCIACHEGAAMAPTTSHR
SCHEMBL6272154 0.69 PRKCI (0.47) PRKCIACHEMAPTTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1108708-B1 1,4-Diaminobenzene derivatives and colouring agents containing these compounds WELLA AG (DE) 2003-01-08 EP claimed