SCHEMBL6572302

SCHEMBL6572302

CNc1ccc(N)cc1-c1cc(N)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.39
CASP1 P29466 3/20 0.37
PDE10A Q9Y233 1/20 0.34
ALDH1A1 P00352 7/20 0.34
GAA P10253 4/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 4/20 0.33
MAPK1 P28482 3/20 0.33
TDP1 Q9NUW8 4/20 0.32
CYP3A4 P08684 4/20 0.32
TSHR P16473 4/20 0.32
ALOX15 P16050 3/20 0.32
HTT P42858 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
PLA2G7 Q13093 1/20 0.32
MEN1 O00255 2/20 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
SCHEMBL6572813 0.91 PRKCI (0.34) PRKCICASP1ALDH1A1GAAKDM4E
SCHEMBL6571324 0.89 PRKCI (0.37) PRKCICASP1PDE10AALDH1A1GAA
SCHEMBL3784887 0.86 ALDH1A1 (0.48) PRKCICASP1ALDH1A1GAAKDM4E
SCHEMBL6571085 0.86 CASP1 (0.40) PRKCICASP1PDE10AALDH1A1GAA
SCHEMBL22845775 0.84 MAPT (0.47) PRKCIALDH1A1GAAKDM4EGLA
SCHEMBL14541440 0.82 PLA2G7 (0.50) PRKCICASP1PDE10AALDH1A1GAA
SCHEMBL6572440 0.80 TSHR (0.45) PRKCICASP1PDE10AALDH1A1GAA
SCHEMBL6572266 0.80 PDE10A (0.50) PRKCICASP1PDE10AALDH1A1GAA
SCHEMBL6572508 0.80 HTR6 (0.33) PRKCICASP1PDE10AALDH1A1KDM4E
SCHEMBL3785429 0.79 ALDH1A1 (0.40) PRKCIPDE10AALDH1A1GAAKDM4E

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