SCHEMBL6574787

SCHEMBL6574787

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.35
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
HTT P42858 2/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
MCL1 Q07820 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
SCHEMBL6572320 0.88 KMT2A (0.35) S100BKMT2AMAPTMEN1LMNA
SCHEMBL6573029 0.85 HRH3 (0.38) S100BKMT2AMAPTMEN1LMNA
SCHEMBL6571892 0.84 MAPT (0.37) S100BKMT2AMAPTMEN1LMNA
SCHEMBL6572754 0.83 F2 (0.35) S100BF2PRSS1PRSS2PRSS3
SCHEMBL6572200 0.83 USP7 (0.40) S100BKMT2AMAPTMEN1LMNA
SCHEMBL6574636 0.83 KMT2A (0.42) S100BKMT2AMAPTMEN1LMNA
SCHEMBL6571525 0.82 KMT2A (0.50) S100BKMT2AMAPTMEN1LMNA
SCHEMBL6571049 0.82 KMT2A (0.35) S100BKMT2AMAPTMEN1LMNA
SCHEMBL6572518 0.82 MAPT (0.38) S100BKMT2AMAPTMEN1LMNA
SCHEMBL6572316 0.82 S100B (0.40) S100BKMT2AMAPTMEN1LMNA

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