SCHEMBL6572226

SCHEMBL6572226

COCCN(CCOC)c1ccc(N)c(-c2ccc(N)cc2O)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
CASP1 P29466 1/20 0.37
GAA P10253 1/20 0.34
S100B P04271 1/20 0.33
PRKCI P41743 1/20 0.32
ACHE P22303 1/20 0.31
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
PSMD14 O00487 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
RECQL P46063 1/20 0.30
GFER P55789 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL6572572 0.89 PDK2 (0.34) GAAS100BF2PRSS1PRSS2
SCHEMBL6570734 0.89 S100B (0.34) TSHRCASP1GAAS100BPSMD14
SCHEMBL6571124 0.86 F2 (0.36) GAAS100BF2PRSS1PRSS2
SCHEMBL6572145 0.83 TSHR (0.37) TSHRCASP1GAAS100BPRKCI
SCHEMBL6571429 0.82 ALDH1A1 (0.36) TSHRS100BF2PRSS1PRSS2
SCHEMBL6571056 0.80 MGAM (0.36) GAAS100BF2PRSS1PRSS2
SCHEMBL6572336 0.80 S100B (0.33) S100BF2PRSS1PRSS2PRSS3
SCHEMBL6573501 0.79 S100B (0.35) S100B
SCHEMBL6571815 0.79 GAA (0.36) TSHRCASP1GAAPRKCIACHE
SCHEMBL6571371 0.78 MAOA (0.34) TSHRS100BF2PRSS1PRSS2

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 4 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
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