SCHEMBL6570679

SCHEMBL6570679

Nc1ccc(N(CCO)CCO)c(-c2cccc(F)c2F)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
WNT1 P04628 2/20 0.31
DYRK1A Q13627 2/20 0.31
SLC9A1 P19634 1/20 0.31
PDK2 Q15119 1/20 0.31
DHODH Q02127 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
SCHEMBL6573270 0.89 MEN1 (0.39) MEN1PABPC1KMT2APDK2
SCHEMBL6570914 0.86 MEN1 (0.39) MEN1PABPC1KMT2A
SCHEMBL6572479 0.83 CRHR1 (0.40) WNT1DYRK1A
SCHEMBL6571873 0.78 ALDH1A1 (0.34) MEN1KMT2A
SCHEMBL6572419 0.78 MEN1 (0.40) MEN1PABPC1KMT2APDK2
SCHEMBL6572058 0.78 TAAR1 (0.45) MEN1PABPC1KMT2A
SCHEMBL6574139 0.77 PLA2G7 (0.50) MEN1PABPC1KMT2A
SCHEMBL6570701 0.77 PLA2G7 (0.43) MEN1PABPC1KMT2A
SCHEMBL6571319 0.77 GLA (0.42) MEN1PABPC1KMT2APDK2
SCHEMBL6574565 0.77 MAPT (0.40) MEN1PABPC1KMT2A

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