SCHEMBL6011534

SCHEMBL6011534

COc1ccc(C)c(-c2ccc(N)cc2N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.48
TDP1 Q9NUW8 3/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 8/20 0.44
CYP3A4 P08684 4/20 0.44
MEN1 O00255 4/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
THRB P10828 2/20 0.42
PLA2G7 Q13093 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL6011428 0.88 TDP1 (0.47) CASP1TDP1MAPK1ALDH1A1CYP3A4
SCHEMBL6011927 0.87 TDP1 (0.54) CASP1TDP1MAPK1ALDH1A1CYP3A4
SCHEMBL7126202 0.86 NPC1 (0.39) CASP1TDP1MAPK1ALDH1A1CYP3A4
SCHEMBL6011418 0.86 ALDH1A1 (0.48) TDP1MAPK1ALDH1A1CYP3A4MEN1
SCHEMBL6011559 0.83 CASP1 (0.62) CASP1TDP1MAPK1ALDH1A1CYP3A4
SCHEMBL6011173 0.83 ALDH1A1 (0.55) TDP1MAPK1ALDH1A1CYP3A4MEN1
SCHEMBL6011235 0.81 ALDH1A1 (0.56) TDP1MAPK1ALDH1A1CYP3A4MEN1
SCHEMBL6011542 0.81 ALDH1A1 (0.55) TDP1MAPK1ALDH1A1CYP3A4MEN1
SCHEMBL6011394 0.81 ALDH1A1 (0.56) TDP1MAPK1ALDH1A1CYP3A4MEN1
SCHEMBL30839715 0.79 ALDH1A1 (0.61) TDP1MAPK1ALDH1A1CYP3A4MEN1

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