SCHEMBL6574565

SCHEMBL6574565

Nc1cccc(-c2cc(N)ccc2N(CCO)CCO)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAOA P21397 1/20 0.39
MAP4K4 O95819 2/20 0.38
MEN1 O00255 2/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
ASH1L Q9NR48 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
USP7 Q93009 1/20 0.33
PSIP1 O75475 1/20 0.33
AXL P30530 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
STK4 Q13043 1/20 0.33
STK3 Q13188 1/20 0.33
BRD4 O60885 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
SCHEMBL6572182 0.90 PIK3CG (0.41) ALDH1A1MAP4K4MEN1PABPC1KMT2A
Hydrochloric Acid SCHEMBL6572997 0.89 PTGDR2 (0.43) MAPTALDH1A1KDM4EMAOAMEN1
SCHEMBL6570856 0.88 ALDH1A1 (0.38) MAPTALDH1A1KDM4EMAP4K4MEN1
SCHEMBL6572172 0.88 STK4 (0.45) ALDH1A1MEN1PABPC1KMT2AUSP7
SCHEMBL6572058 0.88 TAAR1 (0.45) MAPTKDM4EMAP4K4MEN1PABPC1
SCHEMBL6572491 0.88 MAPT (0.37) MAPTALDH1A1KDM4EMEN1PABPC1
SCHEMBL6571885 0.87 ALDH1A1 (0.34) ALDH1A1MEN1PABPC1KMT2APTGDR2
SCHEMBL6570840 0.87 ALDH1A1 (0.36) MAPTALDH1A1KDM4EMEN1PABPC1
SCHEMBL6572448 0.85 ALDH1A1 (0.44) MAPTALDH1A1CYP3A4
SCHEMBL6570947 0.85 TRIM24 (0.37) ALDH1A1MEN1PABPC1KMT2APTGDR2

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