SCHEMBL4613974

SCHEMBL4613974

Cn1c(=NN)n(C)c2cc(Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.40
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
KDM4E B2RXH2 3/20 0.35
TP53 P04637 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HCRTR1 O43613 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL4616296 0.77 MCL1 (0.38) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL4616230 0.74 GPR3 (0.44) PSMB8LMNAL3MBTL1ALDH1A1MAPT
SCHEMBL4614466 0.74 CA2 (0.46) L3MBTL1ALDH1A1MAPTKMT2AMEN1
SCHEMBL4197942 0.74 LMNA (0.57) LMNAL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL11462221 0.74 PSMB8 (0.52) PSMB8LMNAL3MBTL1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL11514668 0.73 GPR3 (0.42) PSMB8LMNAL3MBTL1ALDH1A1MAPT
SCHEMBL4614248 0.68 THRB (0.52) L3MBTL1ALDH1A1MAPTKMT2AMEN1
SCHEMBL4614251 0.68 THRB (0.52) L3MBTL1ALDH1A1MAPTKMT2AMEN1
SCHEMBL1921296 0.66 KDM4E (0.53) PSMB8L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL20208810 0.63 MAT2A (0.45) PSMB8LMNAL3MBTL1ALDH1A1MAPT

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 7 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-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP disclosed
EP-1699427-B1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS WELLA AG (DE) 2008-02-27 EP disclosed
EP-1699426-A1 AGENT AND METHOD FOR OXIDATIVELY DYEING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2006-09-13 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
WO-2005060927-A1 AGENT AND METHOD FOR OXIDATIVELY DYEING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2005-07-07 WO disclosed
WO-2004078152-A1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO disclosed