SCHEMBL6011322

SCHEMBL6011322

COc1cccc(-c2ccc(N)cc2N)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
TP53 P04637 2/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PKM P14618 1/20 0.47
LCK P06239 1/20 0.42
PPARG P37231 2/20 0.41
RXRA P19793 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
NR3C1 P04150 1/20 0.41
IDO1 P14902 1/20 0.41
MEN1 O00255 2/20 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
SCHEMBL7130483 0.94 TP53 (0.54) ALDH1A1MAPTKDM4ETP53MAPK1
SCHEMBL6011583 0.83 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ETP53MAPK1
SCHEMBL6011416 0.83 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ETP53MAPK1
SCHEMBL6011746 0.82 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EMAPK1LMNA
SCHEMBL6011366 0.82 GAA (0.51) ALDH1A1MAPTKDM4ETP53MAPK1
SCHEMBL8004728 0.80 KDM4E (0.70) ALDH1A1MAPTKDM4ETP53MAPK1
SCHEMBL6011403 0.80 NR3C1 (0.48) ALDH1A1MAPTKDM4EMAPK1LMNA
SCHEMBL6011367 0.79 MEN1 (0.50) ALDH1A1MAPTKDM4ETP53MAPK1
SCHEMBL6011452 0.79 ALDH1A1 (0.41) ALDH1A1MAPTKDM4ETP53MAPK1
SCHEMBL6011386 0.78 CASP1 (0.45) ALDH1A1MAPTKDM4ETP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355619-B1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AG (DE) 2006-12-06 EP claimed
EP-1355619-B1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AG (DE) 2006-12-06 EP disclosed
US-7056347-B2 Coloring agents for keratin fibers containing (1,1′-biphenyl)-2,4-diamine derivatives in addition to novel (1,1′-biphenyl)-2,4-diamine-derivatives WELLA AG (DE) 2006-06-06 US disclosed
EP-1355619-A1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES Wella Aktiengesellschaft (DE) 2003-10-29 EP disclosed
WO-2002062307-A1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-08-15 WO disclosed