SCHEMBL6573029

SCHEMBL6573029

Nc1ccc(N(CCO)CCO)cc1-c1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
S100B P04271 1/20 0.37
MAPT P10636 6/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 2/20 0.35
TP53 P04637 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 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
SCHEMBL6571892 0.87 MAPT (0.37) HRH3S100BMAPTKMT2AMEN1
SCHEMBL6572200 0.86 USP7 (0.40) S100BMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6574636 0.86 KMT2A (0.42) S100BMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6573422 0.85 HRH3 (0.42) HRH3S100BMAPTKMT2AMEN1
SCHEMBL6574787 0.85 S100B (0.35) S100BMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6571049 0.84 KMT2A (0.35) S100BMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6572320 0.84 KMT2A (0.35) S100BMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6572518 0.84 MAPT (0.38) S100BMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6571525 0.84 KMT2A (0.50) S100BMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6572316 0.84 S100B (0.40) S100BMAPTKMT2AMEN1SMN1; 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