SCHEMBL6141829

SCHEMBL6141829

Cc1cc(NCc2ccccc2N2CCOCC2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.49
KDM4E B2RXH2 3/20 0.49
BRD4 O60885 2/20 0.49
BRD9 Q9H8M2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
P2RX7 Q99572 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FGFR1 P11362 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CA P42336 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
Hydrochloric Acid SCHEMBL2989438 0.99 GAA (0.48) GAAKDM4EBRD4BRD9HSD17B10
SCHEMBL6141875 0.83 GAA (0.47) GAAKDM4EBRD4BRD9HSD17B10
SCHEMBL6141865 0.82 P2RX7 (0.50) GAAKDM4EBRD4BRD9HSD17B10
Hydrochloric Acid SCHEMBL2991011 0.82 GAA (0.46) GAAKDM4EBRD4BRD9HSD17B10
Hydrochloric Acid SCHEMBL3072172 0.81 P2RX7 (0.49) GAAKDM4EBRD4BRD9HSD17B10
SCHEMBL6141471 0.79 BRD9 (0.54) GAABRD4BRD9ALDH1A1P2RX7
Hydrochloric Acid SCHEMBL2987094 0.78 BRD9 (0.53) GAABRD4BRD9ALDH1A1P2RX7
SCHEMBL4350959 0.76 GAA (0.57) GAAKDM4EBRD4BRD9HSD17B10
SCHEMBL4345439 0.76 ALDH1A1 (0.55) GAAKDM4EBRD4BRD9HSD17B10
SCHEMBL3127155 0.74 BRD4 (0.53) GAAKDM4EBRD4BRD9HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1493731-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and these derivatives Wella Aktiengesellschaft (DE) 2005-01-05 EP disclosed
EP-1226107-A1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES Wella Aktiengesellschaft (DE) 2002-07-31 EP disclosed
WO-2002018318-A1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-07 WO disclosed