SCHEMBL6572408

SCHEMBL6572408

Nc1ccc(O)c(-c2cc(N)ccc2NCCO)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
TDP1 Q9NUW8 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALOX15 P16050 4/20 0.39
RECQL P46063 3/20 0.39
TP53 P04637 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
USP2 O75604 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
BLM P54132 2/20 0.39
CYP3A4 P08684 2/20 0.39
PTGS2 P35354 2/20 0.39
HIF1A Q16665 2/20 0.39
HTT P42858 2/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39

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
SCHEMBL6572203 0.94 KDM4E (0.38) PDE10AKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL6572599 0.90 KMT2A (0.36) PDE10AKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL6572743 0.89 TOP2B (0.39) KMT2AMEN1TDP1SMN1; SMN2ALOX15
SCHEMBL6572017 0.86 ALDH1A1 (0.39) PDE10AKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL6573315 0.85 KMT2A (0.37) KMT2ATDP1RECQLCYP2D6PKM
SCHEMBL6573252 0.83 PRSS1 (0.36) KMT2AMEN1TDP1SMN1; SMN2ALOX15
SCHEMBL6572949 0.83 FCGR3B (0.38) KMT2AMEN1TDP1RECQLRAB9A
SCHEMBL6571957 0.83 PRSS1 (0.38) KMT2ATDP1RECQLTP53CYP3A4
SCHEMBL6572331 0.83 RECQL (0.39) PDE10AKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL6570894 0.83 ALDH1A1 (0.36) KMT2AMEN1TDP1SMN1; SMN2ALOX15

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