SCHEMBL6011387

SCHEMBL6011387

Cc1cccc(C)c1-c1ccc(N)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.54
DPP4 P27487 2/20 0.47
ANPEP P15144 1/20 0.47
ALDH1A1 P00352 5/20 0.44
CD44 P16070 1/20 0.43
CYP3A4 P08684 5/20 0.40
TSHR P16473 4/20 0.40
PLA2G7 Q13093 1/20 0.40
RECQL P46063 1/20 0.40
PDE10A Q9Y233 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
FGFR1 P11362 1/20 0.38
MAPK1 P28482 1/20 0.38
MYC P01106 1/20 0.37
PIK3CA P42336 1/20 0.37
MAPT P10636 3/20 0.37

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
SCHEMBL6011399 0.92 CASP1 (0.50) CASP1DPP4ANPEPALDH1A1CD44
SCHEMBL6011175 0.87 CASP1 (0.47) CASP1DPP4ANPEPALDH1A1CD44
SCHEMBL6011221 0.84 NR3C1 (0.45) CASP1DPP4ANPEPALDH1A1CYP3A4
SCHEMBL6011411 0.82 CYP3A4 (0.43) CASP1ALDH1A1CYP3A4TSHRRECQL
SCHEMBL6011236 0.82 CASP1 (0.48) CASP1DPP4ANPEPALDH1A1CD44
SCHEMBL6011533 0.82 CASP1 (0.48) CASP1DPP4ANPEPALDH1A1CD44
SCHEMBL6011421 0.81 CASP1 (0.52) CASP1DPP4ANPEPALDH1A1CYP3A4
SCHEMBL5685015 0.81 CASP1 (0.59) CASP1DPP4ANPEPALDH1A1CYP3A4
SCHEMBL23609094 0.79 CYP3A4 (0.57) ALDH1A1CD44CYP3A4TSHRTDP1
SCHEMBL3785419 0.79 ALDH1A1 (0.46) CASP1DPP4ANPEPALDH1A1CD44

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