SCHEMBL6574166

SCHEMBL6574166

COCCN(CCOC)c1ccc(N)c(-c2cccc(F)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.42
TAAR1 Q96RJ0 3/20 0.36
FYN P06241 2/20 0.36
KMT2A Q03164 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KCNA5 P22460 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRM5 P41594 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CSNK1D P48730 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
NTRK2 Q16620 1/20 0.33
AURKB Q96GD4 1/20 0.33
PDE4B Q07343 1/20 0.33
TLR8 Q9NR97 1/20 0.33
MLNR O43193 1/20 0.33

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
SCHEMBL6571371 0.88 MAOA (0.34) MAP4K4FYNCHRM3
SCHEMBL6572821 0.87 ALDH1A1 (0.37) MAP4K4FYNKMT2AGSK3BDYRK1A
SCHEMBL6570969 0.86 ADK (0.36) MAP4K4KMT2AMEN1POLBDHPS
SCHEMBL6572429 0.86 TDO2 (0.42) KMT2A
SCHEMBL6571441 0.86 CYP3A4 (0.38) MAP4K4FYNRPS6KB1CSNK1DDYRK1A
SCHEMBL6572500 0.86 MAPT (0.40) TAAR1FYNKMT2AMEN1
SCHEMBL6570799 0.85 GRM2 (0.38) MAP4K4
SCHEMBL6574055 0.84 PRMT6 (0.41) KCNH2TLR8CHRM3
SCHEMBL6570954 0.83 CA12 (0.34) MAP4K4KMT2AMEN1
SCHEMBL6571005 0.82 TAAR1 (0.39) TAAR1FYNKMT2AMEN1POLB

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