SCHEMBL6572717

SCHEMBL6572717

Nc1ccc(N(CCO)CCO)cc1-c1ccc(O)cc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
KMT2A Q03164 4/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TYR P14679 2/20 0.33
PDK1 Q15118 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
S100B P04271 1/20 0.33
GAA P10253 2/20 0.32
POLB P06746 2/20 0.32
SNCA P37840 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL6574429 0.92 KMT2A (0.37) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6572145 0.88 TSHR (0.37) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6570665 0.85 KMT2A (0.40) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6572200 0.84 USP7 (0.40) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6572572 0.83 PDK2 (0.34) TYRPDK1ALDH1A1S100BGAA
SCHEMBL6572913 0.81 KMT2A (0.38) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6571794 0.81 PDE10A (0.36) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6572225 0.80 KMT2A (0.35) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6572800 0.80 ABL1 (0.36) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6570961 0.80 ALDH1A1 (0.43) KMT2AMAPTMEN1LMNASMN1; SMN2

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