SCHEMBL6572813

SCHEMBL6572813

CNc1ccc(NC)c(-c2cc(N)ccc2N)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.34
HTR6 P50406 3/20 0.33
ALDH1A1 P00352 3/20 0.32
GAA P10253 3/20 0.32
KDM4E B2RXH2 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
RECQL P46063 1/20 0.32
CASP6 P55212 1/20 0.32
KMT2A Q03164 1/20 0.32
ELAVL1 Q15717 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
ALOX15 P16050 2/20 0.32
HTT P42858 1/20 0.32
CASP1 P29466 1/20 0.31
TP53 P04637 1/20 0.31
APP P05067 1/20 0.31

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
SCHEMBL6570907 0.91 HTR6 (0.37) HTR6ALDH1A1KDM4ETDP1MAPT
SCHEMBL6572302 0.91 PRKCI (0.39) PRKCIALDH1A1GAAKDM4ETDP1
SCHEMBL6572508 0.86 HTR6 (0.33) PRKCIHTR6ALDH1A1KDM4ETDP1
SCHEMBL6571083 0.82 CASP1 (0.38) HTR6ALDH1A1GAAPOLBCASP1
SCHEMBL6571324 0.81 PRKCI (0.37) PRKCIALDH1A1GAAKDM4ETDP1
SCHEMBL6570909 0.81 PDE10A (0.44) PRKCIHTR6ALDH1A1GAAKDM4E
SCHEMBL6571922 0.79 TSHR (0.41) PRKCIHTR6ALDH1A1GAAKDM4E
SCHEMBL30007748 0.79 HTR6 (0.38) PRKCIHTR6ALDH1A1GAAKDM4E
SCHEMBL3784887 0.79 ALDH1A1 (0.48) PRKCIALDH1A1GAAKDM4ETDP1
SCHEMBL6572072 0.79 FCGR3B (0.34) ALDH1A1GAAKDM4ETDP1MAPT

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-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed